2-Fluoro-6-(trifluoromethyl)phenylacetic acid

C₉H₆F₄O₂CAS 179946-32-8222.14 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Carboxylic acid

Properties

Molecular formula: C₉H₆F₄O₂
Molar mass: 222.14 g/mol
Exact mass: 222.0304 Da
logP: 2.47Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H332 Harmful if inhaled100% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number

179946-32-8

SMILES

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

InChIKey

ZVXIGDPHHXXMMF-UHFFFAOYSA-N

InChI

InChI=1S/C9H6F4O2/c10-7-3-1-2-6(9(11,12)13)5(7)4-8(14)15/h1-3H,4H2,(H,14,15)

Weigh it out

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

Work with 2-Fluoro-6-(trifluoromethyl)phenylacetic 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

2,6-Difluorobenzeneacetic acid85068-28-671 % similar 2-Chloro-6-fluorobenzeneacetic acid37777-76-762 % similar (2-(Trifluoromethyl)phenyl)acetic acid3038-48-059 % similar 2-Fluoro-6-(trifluoromethyl)benzyl alcohol152211-15-958 % similar 2,3,6-Trifluorophenylacetic acid114152-23-754 % similar 2-Fluoro-6-(trifluoromethyl)benzylamine239087-06-054 % similar 2-(Bromomethyl)-1-fluoro-3-(trifluoromethyl)benzene239087-08-254 % similar 2-Fluoro-6-(trifluoromethyl)benzoic acid32890-94-154 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 2H-tetrafluorobenzoate122894-73-9 3-Fluoro-5-(trifluoromethyl)phenylacetic acid195447-79-1 4-Fluoro-2-(trifluoromethyl)benzeneacetic acid195447-80-4 4-Fluoro-3-(trifluoromethyl)benzeneacetic acid220227-47-4 3-Fluoro-4-(trifluoromethyl)phenylacetic acid238754-67-1 3-(1,1,2,2-Tetrafluoroethoxy)benzaldehyde35295-35-3 4-(1,1,2,2-Tetrafluoroethoxy)benzaldehyde35295-36-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook