-
Name
N-(3-Chloro-4-fluorobenzoyl)-4-fluoro-4-N-(3-Chloro-4-fluorobenzoyl)-4-fluoro-4-hydroxymethylpiperidine
- EINECS
- CAS No. 208111-36-8
- Article Data2
- CAS DataBase
- Density 1.38g/cm3
- Solubility
- Melting Point 188-190℃
- Formula C13H14ClF2NO2
- Boiling Point 442.537 °C at 760 mmHg
- Molecular Weight 289.709
- Flash Point 221.439 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms N-(3-Chloro-4-fluorobenzoyl)-4-fluoro-4-N-(3-Chloro-4-fluorobenzoyl)-4-fluoro-4-hydroxymethylpiperidine;
- PSA 40.54000
- LogP 2.35360
(3-Chloro-4-fluorophenyl)[4-fluoro-4-(hydroxymethyl)-1-piperidinyl]methanone Specification
The (3-Chloro-4-fluorophenyl)[4-fluoro-4-(hydroxymethyl)-1-piperidinyl]methanone with cas registry number of 208111-36-8, belongs to the following product categorie: Pyridine series. And its systematic name is {1-[(3-chloro-4-fluorophenyl)carbonyl]-4-fluoropiperidin-4-yl}methanol.
Physical properties about this chemical are: (1)ACD/LogP: 1.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 6; (6)ACD/BCF (pH 7.4): 6; (7)ACD/KOC (pH 5.5): 131; (8)ACD/KOC (pH 7.4): 131; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 40.54 Å2; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 67.723 cm3; (15)Molar Volume: 208.589 cm3; (16)Polarizability: 26.847×10-24cm3; (17)Surface Tension: 49.412 dyne/cm; (18)Enthalpy of Vaporization: 73.778 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:FC2(CCN(C(=O)c1ccc(F)c(Cl)c1)CC2)CO;
(2)InChI:InChI=1/C13H14ClF2NO2/c14-10-7-9(1-2-11(10)15)12(19)17-5-3-13(16,8-18)4-6-17/h1-2,7,18H,3-6,8H2;
(3)InChIKey:MRTJHZXTEXDQIU-UHFFFAOYAY;
(4)Std. InChI:InChI=1S/C13H14ClF2NO2/c14-10-7-9(1-2-11(10)15)12(19)17-5-3-13(16,8-18)4-6-17/h1-2,7,18H,3-6,8H2;
(5)Std. InChIKey:MRTJHZXTEXDQIU-UHFFFAOYSA-N
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