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1-Piperidinecarboxylicacid, 4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxy-, ethyl ester (21928-40-5)

Identification
Name:1-Piperidinecarboxylicacid, 4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxy-, ethyl ester
Synonyms:1-Piperidinecarboxylicacid, 4-(4-chloro-a,a,a-trifluoro-m-tolyl)-4-hydroxy-, ethyl ester (8CI);ethyl 4-(4-chloro-3-(trifluoromethyl)phenyl)-4-hydroxypiperidine-1- carboxylate;
CAS:21928-40-5
EINECS: 244-664-1
Molecular Formula: C15H17ClF3NO3
Molecular Weight: 351.75
InChI: InChI=1/C15H17ClF3NO3/c1-2-23-13(21)20-7-5-14(22,6-8-20)10-3-4-12(16)11(9-10)15(17,18)19/h3-4,9,22H,2,5-8H2,1H3
Molecular Structure: (C15H17ClF3NO3) 1-Piperidinecarboxylicacid, 4-(4-chloro-a,a,a-trifluoro-m-tolyl)-4-hydroxy-, ethyl ester (8CI);ethyl...
Properties
Flash Point: 198.2°C
Boiling Point: 404.1°Cat760mmHg
Density:1.37g/cm3
Refractive index:1.519
Specification:

The Ethyl 4-(4-chloro-3-(trifluoromethyl)phenyl)-4-hydroxypiperidine-1-carboxylate, with cas registry number 21928-40-5,  has the systematic name of ethyl 4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxylate. And its IUPAC name is the same one. What's more, its EINECS is 244-664-1.

Physical properties about this chemical are: (1)ACD/LogP: 3.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 113.16; (6)ACD/BCF (pH 7.4): 113.16; (7)ACD/KOC (pH 5.5): 1027.17; (8)ACD/KOC (pH 7.4): 1027.17; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 78.02 cm3; (15)Molar Volume: 256.6 cm3; (16)Polarizability: 30.93×10-24cm3; (17)Surface Tension: 43.4 dyne/cm; (18)Enthalpy of Vaporization: 69.13 kJ/mol; (19)Vapour Pressure: 2.95E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)N2CCC(O)(c1ccc(Cl)c(c1)C(F)(F)F)CC2
(2)InChI: InChI=1/C15H17ClF3NO3/c1-2-23-13(21)20-7-5-14(22,6-8-20)10-3-4-12(16)11(9-10)15(17,18)19/h3-4,9,22H,2,5-8H2,1H3
(3)InChIKey: FZKYRYDPWDERJV-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C15H17ClF3NO3/c1-2-23-13(21)20-7-5-14(22,6-8-20)10-3-4-12(16)11(9-10)15(17,18)19/h3-4,9,22H,2,5-8H2,1H3
(5)Std. InChIKey: FZKYRYDPWDERJV-UHFFFAOYSA-N

Flash Point: 198.2°C
Safety Data
 

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