4,4-Difluorocyclohexanecarboxylic acid supplier

Name
4,4-Difluorocyclohexanecarboxylic acid
EINECS 602-802-1
CAS No. 122665-97-8
Article Data14
CAS DataBase
Density 1.24 g/cm³
Solubility
Melting Point 103-107 °C
Formula C₇H₁₀F₂O₂
Boiling Point 241.1 °C at 760 mmHg
Molecular Weight 164.152
Flash Point 99.6 °C
Transport Information
Appearance
Safety 26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 4,4-Difluorocyclohexanoic acid;
PSA 37.30000
LogP 1.89650

Synthetic route

: 178312-47-5
ethyl 4,4-difluorocyclohexane-1-carboxylate

: 122665-97-8
4,4-difluorocyclohexanecarboxylic acid

Conditions

Conditions	Yield
With water; lithium hydroxide In tetrahydrofuran at 20℃;	97%
With ethanol; sodium hydroxide at 0 - 20℃; for 18h;	94%
With sodium hydroxide In ethanol at 0 - 20℃; for 18h;	94%

: 17159-79-4
ethyl 4-oxocyclohexane-1-carboxylate

: 122665-97-8
4,4-difluorocyclohexanecarboxylic acid

Conditions

Conditions	Yield
With 4-tert-butyl-2,6-dimethylphenylsulfur trifluoride; pyridine hydrogenfluoride In dichloromethane at 0 - 20℃; for 5h; Inert atmosphere;	27%
Multi-step reaction with 2 steps 1: diethylaminosulfur trifluoride / CH2Cl2 / 0 °C 2: 65 percent / NaOH / tetrahydrofuran; H2O View Scheme
Multi-step reaction with 2 steps 1.1: diethylaminosulfur trifluoride / CH2Cl2 / 0 °C 1.2: OSO4; NMO / acetone; H2O 2.1: 65 percent / NaOH / tetrahydrofuran; H2O View Scheme

: C7H10F2O2*H3N

: 122665-97-8
4,4-difluorocyclohexanecarboxylic acid

Conditions

Conditions	Yield
With hydrogenchloride; water pH=< 1;

: 17159-79-4
ethyl 4-oxocyclohexane-1-carboxylate

A: 122665-97-8
4,4-difluorocyclohexanecarboxylic acid

B: 350-44-7
4-fluorocyclohex-3-ene-1-carboxylic acid

Conditions

Conditions	Yield
Stage #1: ethyl 4-oxocyclohexane-1-carboxylate With diethylamino-sulfur trifluoride at -10 - 20℃; for 24h; Inert atmosphere; Large scale; Stage #2: With sodium hydroxide In tetrahydrofuran; ethanol at 0 - 60℃; pH=11; Large scale;

: 122665-97-8
4,4-difluorocyclohexanecarboxylic acid

: 376348-75-3
4,4-difluorocyclohexane-1-carbonyl chloride

Conditions

Conditions	Yield
With thionyl chloride In toluene at 92℃; for 2.5h; Inert atmosphere; Large scale;	100%
With thionyl chloride In toluene Reflux;	100%
With thionyl chloride at 85℃; for 3h;	98%

: 122665-97-8
4,4-difluorocyclohexanecarboxylic acid

: 178312-48-6
(4,4-difluorocyclohexyl)methanol

Conditions

Conditions	Yield
With sodium tetrahydroborate In tetrahydrofuran at 20℃; for 1h;	98%
Multi-step reaction with 2 steps 1: sulfuric acid / 16 h / 0 - 70 °C 2: lithium aluminium tetrahydride / tetrahydrofuran / 2 h / 0 - 20 °C / Inert atmosphere View Scheme

: 122665-97-8
4,4-difluorocyclohexanecarboxylic acid

: 1262786-65-1
4-{3-[2-methyl-5-(1-methylethyl)-1H-imidazol-1-yl]-8-azabicyclo[3.2.1]oct-8-yl}-2-phenyl-1-butanamine

: 76-05-1
trifluoroacetic acid

: 4,4-difluoro-N-(4-{(1R,5S)-3-[3-methyl-5-(1-methylethyl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl}-2-phenylbutyl)cyclohexanecarboxamide trifluoroacetate

Conditions

Conditions	Yield
Stage #1: 4,4-difluorocyclohexanecarboxylic acid With N-ethyl-N,N-diisopropylamine; HATU In dichloromethane at 20℃; for 0.166667h; Inert atmosphere; Stage #2: 4-{3-[2-methyl-5-(1-methylethyl)-1H-imidazol-1-yl]-8-azabicyclo[3.2.1]oct-8-yl}-2-phenyl-1-butanamine In dichloromethane at 20℃; for 18h; Inert atmosphere; Stage #3: trifluoroacetic acid In water; acetonitrile	96%

...Expand

: 122665-97-8
4,4-difluorocyclohexanecarboxylic acid

: 910297-51-7
N-(2-chloro-6-methylphenyl)-2-((2-methyl-6-(piperazin-1-yl)pyrimidin 4-yl)amino)thiazole-5-carboxamide

: N-(2-chloro-6-methylphenyl)-2-[[6-[4-(4,4-difluorocyclohexanecarbonyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-5-thiazolecarboxamide

Conditions

Conditions	Yield
With dicyclohexyl-carbodiimide; ethyl cyanoglyoxylate-2-oxime In tetrahydrofuran at 63 - 65℃; for 4h;	96%

: 122665-97-8
4,4-difluorocyclohexanecarboxylic acid

: 1117-97-1
N,0-dimethylhydroxylamine

: 917383-03-0
4,4-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine; HATU In N,N-dimethyl-formamide at 16℃; for 16h; Concentration;	95.09%
With N-ethyl-N,N-diisopropylamine; HATU In N,N-dimethyl-formamide at 16℃; for 16h;	1.2 g

: 122665-97-8
4,4-difluorocyclohexanecarboxylic acid

: C23H31N5O

: 4,4-difluoro-cyclohexanecarboxylic acid {3-[5-(4,6-dimethyl-pyrimidine-5-carbonyl)-hexahydro-pyrrolo[3,4-c]pyrrol-2-yl]-1-phenyl-butyl}-amide

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃;	95%

: 122665-97-8
4,4-difluorocyclohexanecarboxylic acid

: 6066-82-6
1-hydroxy-pyrrolidine-2,5-dione

: 1369515-34-3
2,5-dioxopyrrolidin-1-yl 4,4-difluorocyclohexanecarboxylate

Conditions

Conditions	Yield
With dicyclohexyl-carbodiimide In tetrahydrofuran at 0 - 20℃; for 1h;	94%
Stage #1: 4,4-difluorocyclohexanecarboxylic acid With dicyclohexyl-carbodiimide In tetrahydrofuran at 0 - 20℃; Stage #2: 1-hydroxy-pyrrolidine-2,5-dione In tetrahydrofuran at 20℃;	94%
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0 - 20℃; for 12h; Inert atmosphere;

: 122665-97-8
4,4-difluorocyclohexanecarboxylic acid

: 1126-09-6
4-carbethoxypiperidine

: C15H23F2NO3

Conditions

Conditions	Yield
Stage #1: 4,4-difluorocyclohexanecarboxylic acid With N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In dichloromethane at 20℃; for 0.25h; Stage #2: 4-carbethoxypiperidine With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 18h;	94%

: 122665-97-8
4,4-difluorocyclohexanecarboxylic acid

: 2,2,2,-trichloroethoxycarbonyl azide

: 1227064-42-7
2,2,2-trichloroethyl (4,4-difluorocyclohexyl)carbamate

Conditions

Conditions	Yield
With dmap; copper diacetate In acetonitrile at 80℃; for 3h; Schlenk technique; Sealed tube;	94%

: 122665-97-8
4,4-difluorocyclohexanecarboxylic acid

: 147081-29-6
(S)-3-methyl-piperazine-1-carboxylic acid tert-butyl ester

: 1133749-73-1
(R)-tert-butyl 4-(4,4-difluorocyclohexanecarbonyl)-3-methylpiperazine-1-carboxylate

Conditions

Conditions	Yield
With 1-hydroxy-7-aza-benzotriazole; sodium hydrogencarbonate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide for 15h;	92%

: 122665-97-8
4,4-difluorocyclohexanecarboxylic acid

: 62-53-3
aniline

: N-((4,4-difluorocyclohexyl)methyl)aniline

Conditions

Conditions	Yield
With tris(2,4-pentanedionato)ruthenium(III); hydrogen; bis(trifluoromethanesulfonyl)amide; [2-((diphenylphospino)methyl)-2-methyl-1,3-propanediyl]bis[diphenylphosphine] In dibutyl ether at 160℃; under 45004.5 Torr; for 18h; Autoclave;	91%

: 122665-97-8
4,4-difluorocyclohexanecarboxylic acid

: (S)-(+)-β-phenyl-β-alanine methyl ester hydrochloride

: methyl (3S)-3-[(4,4-difluorocyclohexanecarbonyl)amino]-3-phenylpropanoate

Conditions

Conditions	Yield
Stage #1: 4,4-difluorocyclohexanecarboxylic acid With thionyl chloride In dichloromethane for 15h; Reflux; Stage #2: (S)-(+)-β-phenyl-β-alanine methyl ester hydrochloride With sodium hydrogencarbonate In dichloromethane; water for 0.5h; Cooling with ice;	91%

: 122665-97-8
4,4-difluorocyclohexanecarboxylic acid

: 67-56-1
methanol

: 121629-14-9
methyl 4,4-difluorocyclohexane-1-carboxylate

Conditions

Conditions	Yield
With sulfuric acid at 0 - 70℃; for 16h;	90.82%
sulfuric acid for 16h; Reflux;

: 122665-97-8
4,4-difluorocyclohexanecarboxylic acid

: dideuterio-(4,4-difluorocyclohexyl)methanol

Conditions

Conditions	Yield
With lithium aluminium deuteride In tetrahydrofuran at 20℃;	88.1%

: 122665-97-8
4,4-difluorocyclohexanecarboxylic acid

: (1S)-3-((1R,5S)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropan-1-amine

: 376348-65-1
4,4-difluoro-N-[(1S)-3-[(1R,5S)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 20℃; Inert atmosphere; Molecular sieve;	87%

: 122665-97-8
4,4-difluorocyclohexanecarboxylic acid

: 927209-98-1
4,4-difluorocyclohexanecarboxamide

Conditions

Conditions	Yield
Stage #1: 4,4-difluorocyclohexanecarboxylic acid With 4-methyl-morpholine; carbonochloridic acid, butyl ester In tetrahydrofuran at -70℃; for 0.25h; Inert atmosphere; Stage #2: With ammonium hydroxide In water at 20℃;	86%
Stage #1: 4,4-difluorocyclohexanecarboxylic acid With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 20℃; for 1.5h; Stage #2: With ammonium hydroxide In tetrahydrofuran for 0.5h;	77%
Stage #1: 4,4-difluorocyclohexanecarboxylic acid With 4-methyl-morpholine; isobutyl chloroformate In tetrahydrofuran at -70℃; for 0.5h; Stage #2: With ammonium hydroxide In tetrahydrofuran at 0℃;	40%

: 122665-97-8
4,4-difluorocyclohexanecarboxylic acid

: 1370259-81-6
(4-{1-amino-3-[3-(3-isopropyl-5-methyl-[1,2,4]triazol-4-yl)-8-azabicyclo[3.2.1]oct-8-yl]propyl}phenyl)carbamic acid tert-butyl ester

: 1370259-90-7
(4-{1-(4,4-difluorocyclohexylcarbonylamino)-3-[3-(3-isopropyl-5-methyl-[1,2,4]triazol-4-yl)-8-azabicyclo[3.2.1]oct-8-yl]propyl}phenyl)carbamic acid tert-butyl ester

Conditions

Conditions	Yield
Stage #1: 4,4-difluorocyclohexanecarboxylic acid With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In dichloromethane for 0.25h; Inert atmosphere; Cooling with ice; Molecular sieve; Stage #2: (4-{1-amino-3-[3-(3-isopropyl-5-methyl-[1,2,4]triazol-4-yl)-8-azabicyclo[3.2.1]oct-8-yl]propyl}phenyl)carbamic acid tert-butyl ester In dichloromethane at 20℃; for 4h; Inert atmosphere; Molecular sieve;	85%

Yield

Stage #1: 4,4-difluorocyclohexanecarboxylic acid With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In dichloromethane for 0.25h; Inert atmosphere; Cooling with ice; Molecular sieve;
Stage #2: (4-{1-amino-3-[3-(3-isopropyl-5-methyl-[1,2,4]triazol-4-yl)-8-azabicyclo[3.2.1]oct-8-yl]propyl}phenyl)carbamic acid tert-butyl ester In dichloromethane at 20℃; for 4h; Inert atmosphere; Molecular sieve;

85%

: 122665-97-8
4,4-difluorocyclohexanecarboxylic acid

: C22H28FN5O

: (S)-4,4-difluoro-cydohexanecarboxylic acid [3-[5-(4,6-dimethyl-pyrimidine-5-carbonyl)-hexahydro-pyrrolo[3,4-c]pyrrol-2-yl]-1-(3-fluoro-phenyl)-propyl]-amide

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane for 4h;	84%

: 122665-97-8
4,4-difluorocyclohexanecarboxylic acid

: benzyl 2-{bis[(tert-butoxy)carbonyl]amino}prop-2-enoate

: 76-05-1
trifluoroacetic acid

: C16H21F2NO2*C2HF3O2

Conditions

Conditions	Yield
Stage #1: benzyl 2-{bis[(tert-butoxy)carbonyl]amino}prop-2-enoate With dipotassium hydrogenphosphate; 10-(3,5-dimethoxyphenyl)-9-mesityl-1,3,6,8-tetramethoxyacridin-10-ium tetrafluoroborate In N,N-dimethyl-formamide for 0.333333h; Sealed tube; Inert atmosphere; Stage #2: 4,4-difluorocyclohexanecarboxylic acid In N,N-dimethyl-formamide at 25℃; for 20h; Inert atmosphere; Sealed tube; Irradiation; Stage #3: trifluoroacetic acid In dichloromethane at 25℃; for 1.5h; Sealed tube;	83%

Yield

Stage #1: benzyl 2-{bis[(tert-butoxy)carbonyl]amino}prop-2-enoate With dipotassium hydrogenphosphate; 10-(3,5-dimethoxyphenyl)-9-mesityl-1,3,6,8-tetramethoxyacridin-10-ium tetrafluoroborate In N,N-dimethyl-formamide for 0.333333h; Sealed tube; Inert atmosphere;
Stage #2: 4,4-difluorocyclohexanecarboxylic acid In N,N-dimethyl-formamide at 25℃; for 20h; Inert atmosphere; Sealed tube; Irradiation;
Stage #3: trifluoroacetic acid In dichloromethane at 25℃; for 1.5h; Sealed tube;

83%

...Expand

: 122665-97-8
4,4-difluorocyclohexanecarboxylic acid

: 24425-40-9
indan-5-amine

: C15H19F2NO2S

Conditions

Conditions	Yield
With tert-Butyl peroxybenzoate; 9-(2-chlorophenyl)acridine; copper(I) trifluoromethanesulfonate * 1/2 toluene; 1,4-diazabicyclo [2.2.2] octane-1,4-diium-1,4-disulfinate In dichloromethane Irradiation;	83%

: 122665-97-8
4,4-difluorocyclohexanecarboxylic acid

: 491-35-0
C6H4NCH2CHCCH2

: 2-(4,4-difluorocyclohexyl)-4-methylquinoline

Conditions

Conditions	Yield
With hydrogenchloride; cerium(III) chloride heptahydrate; tetrabutyl-ammonium chloride In 2,2,2-trifluoroethanol; water for 17h; Schlenk technique; Inert atmosphere; Electrochemical reaction; Irradiation;	82%
With ammonium peroxydisulfate; [4,4’-bis(1,1-dimethylethyl)-2,2’-bipyridine-N1,N1‘]bis [3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-N]phenyl-C]iridium(III) hexafluorophosphate In dimethyl sulfoxide at 20℃; Irradiation; Inert atmosphere;	78%
With bis-[(trifluoroacetoxy)iodo]benzene In acetonitrile at 20℃; for 12h; Inert atmosphere; Irradiation; Schlenk technique;	67%
With 2-Picolinic acid; ferrous(II) sulfate heptahydrate; sodium chlorate In water; dimethyl sulfoxide at 20℃; for 24h; Inert atmosphere; Irradiation;	57%

: 122665-97-8
4,4-difluorocyclohexanecarboxylic acid

: 524-38-9
N-hydroxyphthalimide

: 1,3-dioxoisoindolin-2-yl 4,4-difluorocyclohexane-1-carboxylate

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 25℃;	81%
With dmap; diisopropyl-carbodiimide In dichloromethane for 1h;	79%
With dmap; diisopropyl-carbodiimide In dichloromethane at 20℃; for 0.5h;	76%

: 122665-97-8
4,4-difluorocyclohexanecarboxylic acid

: 5352-95-4
3-(4-fluorophenyl)-3H-1,2,3-oxadiazol-1-ium-5-olate

: 4,4-difluoro-N'-(4-fluorophenyl)-N'-formylcyclohexane-1-carbohydrazide

Conditions

Conditions	Yield
With tris(2,2′-bipyrazine-N1,N1′)ruthenium(II) hexafluorophosphate In acetonitrile at 20℃; for 24h; Inert atmosphere; Schlenk technique; Irradiation; Sealed tube;	81%

: 122665-97-8
4,4-difluorocyclohexanecarboxylic acid

: 5765-65-1
4-(benzoyloxy)morpholine

: C10H17F2NO3S

Conditions

Conditions	Yield
With copper (II)-fluoride; 1,4-diazabicyclo [2.2.2] octane-1,4-diium-1,4-disulfinate; 9-mesitylacridine In dichloromethane Irradiation;	81%

: 122665-97-8
4,4-difluorocyclohexanecarboxylic acid

: 13633-25-5
1-Bromo-4-phenylbutane

: C17H22F2O

Conditions

Conditions	Yield
With 6,6'-dimethyl-2,2'-bipyridine; nickel(II) bromide trihydrate; di-tert-butyl dicarbonate; sodium iodide; magnesium chloride; zinc In N,N-dimethyl acetamide at 30℃; for 24h; regioselective reaction;	77%

: 122665-97-8
4,4-difluorocyclohexanecarboxylic acid

: 1114997-13-5
(S)-3-(4-(7-chloroquinolin-4-yl)piperazin-1-yl)-1-phenylpropan-1-amine

: 1114996-72-3
N-((S)-3-(4-(7-chloroquinolin-4-yl)piperazin-1-yl)-1-phenylpropyl)-4,4-difluorocyclohexanecarboxamide

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane at 25℃; for 4h;	76%

: 122665-97-8
4,4-difluorocyclohexanecarboxylic acid

: 7524-50-7
methyl (2S)-2-amino-3-phenylpropanoate hydrochloride

: methyl (4,4-difluorocyclohexane-1-carbonyl)-L-phenylalaninate

Conditions

Conditions	Yield
Stage #1: 4,4-difluorocyclohexanecarboxylic acid With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 0℃; for 0.333333h; Stage #2: methyl (2S)-2-amino-3-phenylpropanoate hydrochloride at 20℃; for 16h;	76%

: 122665-97-8
4,4-difluorocyclohexanecarboxylic acid

: 39082-53-6
1,1-bis(phenylsulfonyl)ethylene

: C20H22F2O4S2

Conditions

Conditions	Yield
With piperazine; 9-(2-chlorophenyl)acridine; tetrakis(acetonitrile)copper(I)tetrafluoroborate In dichloromethane at 25 - 27℃; for 14h; Irradiation;	76%

: 122665-97-8
4,4-difluorocyclohexanecarboxylic acid

: 376348-71-9
(S)-3-((1R,3R,5S)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropan-1-amine

: 376348-65-1
maraviroc

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In dichloromethane at 20℃; for 12h;	75%
With polimer bound carbodiimide In dichloromethane at 20℃; for 1h;	49%

4,4-Difluorocyclohexanecarboxylic acid Specification

The 4,4-Difluorocyclohexanecarboxylic acid, with the CAS registry number 122665-97-8,is also known as 4, 4 -Difluoro-cyclohexane carboxylic acid. It belongs to the product categories of Intermediates & Fine Chemicals;Pharmaceuticals. This chemical's molecular formula is C₇H₁₀F₂O₂and molecular weight is 164.15. What's more,Its systematic name is 4,4-Difluorocyclohexanecarboxylic acid.It is a White Solid which is a di-substituted cyclohexane carboxylic acids used in the synthesis of macrolide antibiotics.It is irritating to eyes, respiratory system and skin.In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

Physical properties about 4,4-Difluorocyclohexanecarboxylic acid are:
(1)ACD/LogP: 0.859; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.59; (4)ACD/LogD (pH 7.4): -2.34; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 2.48; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.432; (13)Molar Refractivity: 34.285 cm³; (14)Molar Volume: 132.05 cm³; (15)Surface Tension: 32.576000213623 dyne/cm; (16)Density: 1.243 g/cm³; (17)Flash Point: 99.639 °C; (18)Enthalpy of Vaporization: 52.653 kJ/mol; (19)Boiling Point: 241.141 °C at 760 mmHg; (20)Vapour Pressure: 0.0120000001043081 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:FC1(F)CCC(C(=O)O)CC1;
(2)Std. InChI:InChI=1S/C7H10F2O2/c8-7(9)3-1-5(2-4-7)6(10)11/h5H,1-4H2,(H,10,11);
(3)Std. InChIKey:HYIUDFLDFSIXTR-UHFFFAOYSA-N.

Product Name

4,4-Difluorocyclohexanecarboxylic acid

Synthetic route

4,4-Difluorocyclohexanecarboxylic acid Specification

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