3,4-Difluorophenol

C₆H₄F₂OCAS 2713-33-9130.09 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₆H₄F₂O
Molar mass: 130.09 g/mol
Exact mass: 130.0230 Da
logP: 1.67Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

2713-33-9

SMILES

Oc1ccc(F)c(F)c1

InChIKey

BNPWVUJOPCGHIK-UHFFFAOYSA-N

InChI

InChI=1S/C6H4F2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H

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

Names and synonyms

2 names

Phenol, 3,4-difluoro-
4,5-Difluorophenol

Work with 3,4-Difluorophenol

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

4-Fluoro-1,3-dihydroxybenzene103068-41-365 % similar 4-Bromo-3-fluorophenol121219-03-260 % similar 3-Chloro-4-fluorophenol2613-23-260 % similar 4-Chloro-3-fluorophenol348-60-760 % similar 4-Amino-3-fluorophenol399-95-160 % similar 4-Fluoro-3-methylphenol452-70-060 % similar 3-Fluoro-4-methylphenol452-78-860 % similar 3-Amino-4-fluorophenol62257-16-360 % similar

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

Same formula

2,5-Difluorophenol2713-31-7 3,5-Difluorophenol2713-34-0 2,6-Difluorophenol28177-48-2 2,4-Difluorophenol367-27-1

Elsewhere

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