3,4-Difluorobenzenemethanol

C₇H₆F₂OCAS 85118-05-4144.12 g/mol

Open in Covalent MOL file

Alcohol Aryl halide

Properties

Molecular formula: C₇H₆F₂O
Molar mass: 144.12 g/mol
Exact mass: 144.0387 Da
logP: 1.46Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

85118-05-4

SMILES

OCc1ccc(F)c(F)c1

InChIKey

GNQLTCVBSGVGHC-UHFFFAOYSA-N

InChI

InChI=1S/C7H6F2O/c8-6-2-1-5(4-10)3-7(6)9/h1-3,10H,4H2

Weigh it out

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

Names and synonyms

3 names

Benzenemethanol, 3,4-difluoro-
3,4-Difluorobenzyl alcohol
(3,4-Difluorophenyl)methanol

Work with 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

3-Bromo-4-fluorobenzenemethanol77771-03-064 % similar (4-Fluoro-3-methoxyphenyl)methanol128495-45-463 % similar 3,4-Difluorobenzylamine72235-53-156 % similar 3,4-Difluorobenzyl bromide85118-01-056 % similar (3,4-Difluorophenyl)acetic acid658-93-552 % similar 3-Fluorobenzyl alcohol456-47-350 % similar 4-Fluorobenzyl alcohol459-56-350 % similar 1,4-Benzenedimethanol589-29-750 % similar

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

Same formula

1,2-Difluoro-4-methoxybenzene115144-40-6 1,2-Difluoro-3-methoxybenzene134364-69-5 2,6-Difluorobenzenemethanol19064-18-7 1,3-Difluoro-2-methoxybenzene437-82-1 2,4-Difluoroanisole452-10-8 (Difluoromethoxy)benzene458-92-4 2,4-Difluorobenzenemethanol56456-47-4 1,4-Difluoro-2-methoxybenzene75626-17-4

Elsewhere

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