(αS)-2,6-Dichloro-3-fluoro-α-methylbenzenemethanol

C₈H₇Cl₂FOCAS 877397-65-4209.04 g/mol

Open in Covalent MOL file

Alcohol Aryl halide

Properties

Molecular formula: C₈H₇Cl₂FO
Molar mass: 209.04 g/mol
Exact mass: 207.9858 Da
logP: 3.19Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

877397-65-4

SMILES

C[C@H](O)c1c(Cl)ccc(F)c1Cl

InChIKey

JAOYKRSASYNDGH-BYPYZUCNSA-N

InChI

InChI=1S/C8H7Cl2FO/c1-4(12)7-5(9)2-3-6(11)8(7)10/h2-4,12H,1H3/t4-/m0/s1

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Names and synonyms

4 names

Benzenemethanol, 2,6-dichloro-3-fluoro-α-methyl-, (αS)-
(1S)-1-(2,6-Dichloro-3-fluorophenyl)ethanol
(S)-1-(2,6-Dichloro-3-fluorophenyl)ethanol
(1S)-1-(2,6-Dichloro-3-fluorophenyl)ethan-1-ol

Work with (αS)-2,6-Dichloro-3-fluoro-α-methylbenzenemethanol

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(αR)-2,6-Dichloro-3-fluoro-α-methylbenzenemethanol330156-50-8Enantiomer

Similar compounds

2,6-Dichloro-α-methylbenzenemethanol53066-19-656 % similar 1,3-Dichloro-2,4-difluorobenzene36556-37-347 % similar 1-Chloro-2,6-difluorobenzene38361-37-442 % similar 2,6-Dichloro-3-fluorobenzoic acid178813-78-041 % similar 1-(2,6-Dichloro-3-fluorophenyl)ethanone290835-85-741 % similar 1,2-Dichloro-3-fluorobenzene36556-50-041 % similar (1R)-1-(2-Chlorophenyl)ethan-1-ol120466-66-241 % similar (S)-1-(2-Chlorophenyl)ethanol131864-71-641 % similar

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

Elsewhere

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