2,6-Difluorobenzeneacetic acid

C8H6F2O2CAS 85068-28-6172.13 g/mol

Open in Covalent MOL file
OOHFF
Aryl halideCarboxylic 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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
85068-28-6
SMILES
O=C(O)Cc1c(F)cccc1F
InChIKey
FUGDCKXBUZFEON-UHFFFAOYSA-N
InChI
InChI=1S/C8H6F2O2/c9-6-2-1-3-7(10)5(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, 2,6-difluoro-
  • 2,6-Difluorophenylacetic acid
  • 2-(2,6-Difluorophenyl)acetic acid

Work with 2,6-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-Chloro-6-fluorobenzeneacetic acid37777-76-777 % similar 2-Fluoro-6-(trifluoromethyl)phenylacetic acid179946-32-871 % similar 2,3,6-Trifluorophenylacetic acid114152-23-768 % similar 2,4,6-Trifluorobenzeneacetic acid209991-63-965 % similar (2-Fluorophenyl)acetic acid451-82-165 % similar 2-(4-Bromo-2,6-difluorophenyl)acetic acid537033-54-861 % similar 2-Chloro-6-fluoro-3-methylphenylacetic acid261762-92-959 % similar 2,6-Dichlorophenylacetic acid6575-24-258 % 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 1-(3,5-Difluoro-2-hydroxyphenyl)ethan-1-one140675-42-9 2,3-Difluorobenzeneacetic acid145689-41-4

Elsewhere

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