2,5-Difluorobenzeneacetic acid

C₈H₆F₂O₂CAS 85068-27-5172.13 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
logP: 1.59Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Identifiers

CAS number

85068-27-5

SMILES

O=C(O)Cc1cc(F)ccc1F

InChIKey

FKCRTRYQHZHXES-UHFFFAOYSA-N

InChI

InChI=1S/C8H6F2O2/c9-6-1-2-7(10)5(3-6)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

3 names

Benzeneacetic acid, 2,5-difluoro-
(2,5-Difluorophenyl)acetic acid
2-(2,5-Difluorophenyl)acetic acid

Work with 2,5-Difluorobenzeneacetic 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

2,4-Difluorophenylacetic acid81228-09-376 % similar 2,3,5-Trifluorophenylacetic acid132992-28-064 % similar (2,4,5-Trifluorophenyl)acetic acid209995-38-064 % similar 2-Chloro-4-fluorobenzeneacetic acid177985-32-962 % similar 2-Bromo-4-fluorobenzeneacetic acid61150-59-262 % similar (2-Fluorophenyl)acetic acid451-82-162 % similar 5-Fluoro-2-methoxybenzeneacetic acid383134-85-862 % similar (4-Fluorophenyl)acetic acid405-50-561 % 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 Methyl 2,6-difluorobenzoate13671-00-6 2,3-Difluorobenzeneacetic acid145689-41-4 4,5-Difluoro-2-methylbenzoic acid183237-86-7

Elsewhere

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