N-Boc-4-(4-trifluoromethylphenoxy)piperidine supplier

Name
N-BOC-4-(4-TRIFLUOROMETHYLPHENOXY)PIPERIDINE
EINECS
CAS No. 287952-08-3
Article Data3
CAS DataBase
Density 1.2 g/cm³
Solubility
Melting Point
Formula C₁₇H₂₂F₃NO₃
Boiling Point 390.108 °C at 760 mmHg
Molecular Weight 345.362
Flash Point 189.731 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-(4-Trifluoromethylphenoxy)piperidine-1-carboxylicacid tert-butyl ester;tert-Butyl 4-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxylate;
PSA 38.77000
LogP 4.42160

N-Boc-4-(4-trifluoromethylphenoxy)piperidine Specification

The 1-Piperidinecarboxylicacid, 4-[4-(trifluoromethyl)phenoxy]-, 1,1-dimethylethyl ester, with the CAS registry number 287952-08-3, is also known as 4-(4-Trifluoromethylphenoxy)piperidine-1-carboxylicacid tert-butyl ester. This chemical's molecular formula is C₁₇H₂₂F₃NO₃ and molecular weight is 345.36. What's more, its systematic name is tert-butyl 4-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxylate.

Physical properties of 1-Piperidinecarboxylicacid, 4-[4-(trifluoromethyl)phenoxy]-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 4.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 1575; (6)ACD/BCF (pH 7.4): 1575; (7)ACD/KOC (pH 5.5): 6764; (8)ACD/KOC (pH 7.4): 6764; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 38.77 Å²; (13)Index of Refraction: 1.487; (14)Molar Refractivity: 82.716 cm³; (15)Molar Volume: 287.694 cm³; (16)Polarizability: 32.791×10^-24cm³; (17)Surface Tension: 35.699 dyne/cm; (18)Density: 1.2 g/cm³; (19)Flash Point: 189.731 °C; (20)Enthalpy of Vaporization: 63.954 kJ/mol; (21)Boiling Point: 390.108 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ccc(cc1)OC2CCN(CC2)C(=O)OC(C)(C)C
(2)Std. InChI: InChI=1S/C17H22F3NO3/c1-16(2,3)24-15(22)21-10-8-14(9-11-21)23-13-6-4-12(5-7-13)17(18,19)20/h4-7,14H,8-11H2,1-3H3
(3)Std. InChIKey: SBDIGZAKUAGTCO-UHFFFAOYSA-N

Product Name

N-BOC-4-(4-TRIFLUOROMETHYLPHENOXY)PIPERIDINE

N-Boc-4-(4-trifluoromethylphenoxy)piperidine Specification

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