(3,4-Difluorophenyl)acetic acid

C₈H₆F₂O₂CAS 658-93-5172.13 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₈H₆F₂O₂
Molar mass: 172.13 g/mol
Exact mass: 172.0336 Da
Melting point: 40–42 °C
logP: 1.59Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Identifiers

CAS number

658-93-5

SMILES

O=C(O)Cc1ccc(F)c(F)c1

InChIKey

YCAKYFIYUHHCKW-UHFFFAOYSA-N

InChI

InChI=1S/C8H6F2O2/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3H,4H2,(H,11,12)

Weigh it out

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

Names and synonyms

4 names

Benzeneacetic acid, 3,4-difluoro-
Acetic acid, (3,4-difluorophenyl)-
3,4-Difluorobenzeneacetic acid
2-(3,4-Difluorophenyl)acetic acid

Work with (3,4-Difluorophenyl)acetic acid

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-Fluoro-4-hydroxybenzeneacetic acid458-09-372 % similar (3-Fluoro-4-methoxyphenyl)acetic acid452-14-269 % similar 4-Fluoro-3-(trifluoromethyl)benzeneacetic acid220227-47-466 % similar 1,4-Benzenediacetic acid7325-46-463 % similar (4-Fluorophenyl)acetic acid405-50-561 % similar 3-Fluorophenylacetic acid331-25-961 % similar 1,3-Benzenediacetic acid19806-17-860 % similar (2,4,5-Trifluorophenyl)acetic acid209995-38-059 % similar

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

Same formula

3,5-Difluoro-2-methylbenzoic acid1003710-06-2 2,5-Difluoro-4-methylbenzoic acid103877-80-1 3,5-Difluorophenylacetic acid105184-38-1 Methyl 2,4-difluorobenzoate106614-28-2 2,4-Difluoro-3-methylbenzoic acid112857-68-8 2,3-Difluorobenzeneacetic acid145689-41-4 4,5-Difluoro-2-methylbenzoic acid183237-86-7 Methyl 3,4-difluorobenzoate369-25-5

Elsewhere

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