(αS)-α-(Chloromethyl)-3,4-difluorobenzenemethanol

C₈H₇ClF₂OCAS 1006376-60-8192.59 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide Aryl halide

Properties

Molecular formula: C₈H₇ClF₂O
Molar mass: 192.59 g/mol
Exact mass: 192.0153 Da
logP: 2.24Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

1006376-60-8

SMILES

O[C@H](CCl)c1ccc(F)c(F)c1

InChIKey

RYOLLNVCYSUXCP-MRVPVSSYSA-N

InChI

InChI=1S/C8H7ClF2O/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,12H,4H2/t8-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

Benzenemethanol, α-(chloromethyl)-3,4-difluoro-, (αS)-
(S)-2-Chloro-1-(3,4-difluorophenyl)ethanol
(1S)-2-Chloro-1-(3,4-difluorophenyl)ethan-1-ol
(1S)-2-Chloro-1-(3,4-difluorophenyl)ethanol

Work with (αS)-α-(Chloromethyl)-3,4-difluorobenzenemethanol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(2S)-2-(3,4-Difluorophenyl)oxirane1006376-63-146 % similar 2-(3,4-Difluorophenyl)-2-hydroxyacetic acid132741-29-844 % similar (1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine220352-38-543 % similar (1R,2R)-2-(3,4-Difluorophenyl)cyclopropanecarboxamide1006376-62-040 % similar (1R Trans)-2-(3,4-difluorophenyl)cyclopropane amine1156491-10-940 % similar 1,2-Difluoro-4-[trans-4-[2-(trans-4-propylcyclohexyl)ethyl]cyclohexyl]benzene117943-37-039 % similar (S)-2-Chloro-1-(2,4-dichlorophenyl)ethanol126534-31-438 % similar Trans,trans-4-(3,4-difluorophenyl)-4''-ethyl-bicyclohexyl118164-50-437 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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