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(3-Chloro-4-fluorophenyl)[4-fluoro-4-(hydroxymethyl)-1-piperidinyl]methanone (208111-36-8)

Identification
Name:(3-Chloro-4-fluorophenyl)[4-fluoro-4-(hydroxymethyl)-1-piperidinyl]methanone
Synonyms:N-(3-Chloro-4-fluorobenzoyl)-4-fluoro-4-N-(3-Chloro-4-fluorobenzoyl)-4-fluoro-4-hydroxymethylpiperidine;
CAS:208111-36-8
Molecular Formula: C13H14ClF2NO2
Molecular Weight: 289.71
Molecular Structure: (C13H14ClF2NO2) N-(3-Chloro-4-fluorobenzoyl)-4-fluoro-4-N-(3-Chloro-4-fluorobenzoyl)-4-fluoro-4-hydroxymethylpiperid...
Properties
Density:1.38
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

Safety Data
 

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