3,5-Difluorophenylacetic acid

C₈H₆F₂O₂CAS 105184-38-1172.13 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

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation98.1% of notifiers

Aggregated from 52 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

105184-38-1

SMILES

C1=C(C=C(C=C1F)F)CC(=O)O

InChIKey

IGGNSAVLXJKCNH-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 3,5-Difluorophenylacetic 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-(3-Chloro-5-fluorophenyl)acetic acid202001-00-174 % similar 3-Fluorophenylacetic acid331-25-970 % similar 3-Fluoro-5-(trifluoromethyl)phenylacetic acid195447-79-170 % similar 2,4,6-Trifluorobenzeneacetic acid209991-63-967 % similar 3-(3,5-Difluorophenyl)propionic acid84315-24-267 % similar (4-Fluorophenyl)acetic acid405-50-566 % similar 3,4,5-Trifluorophenylacetic acid209991-62-863 % similar 2,3,5-Trifluorophenylacetic acid132992-28-059 % 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 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 4,5-Difluoro-2-methoxybenzaldehyde145742-34-3

Elsewhere

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