4-Fluoro-2-(trifluoromethyl)benzeneacetic acid

C9H6F4O2CAS 195447-80-4222.14 g/mol

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 6 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
195447-80-4
SMILES
O=C(O)Cc1ccc(F)cc1C(F)(F)F
InChIKey
BMUFUJMVNODTAD-UHFFFAOYSA-N
InChI
InChI=1S/C9H6F4O2/c10-6-2-1-5(3-8(14)15)7(4-6)9(11,12)13/h1-2,4H,3H2,(H,14,15)

Weigh it out

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

Names and synonyms

5 names
  • Benzeneacetic acid, 4-fluoro-2-(trifluoromethyl)-
  • 4-Fluoro-2-trifluoromethylphenylacetic acid
  • (2-Trifluoromethyl-4-fluorophenyl)acetic acid
  • 2-(4-Fluoro-2-(trifluoromethyl)phenyl)acetic acid
  • 2-[4-Fluoro-2-(trifluoromethyl)phenyl]acetic acid

Work with 4-Fluoro-2-(trifluoromethyl)benzeneacetic 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-Bis(trifluoromethyl)phenylacetic acid177952-39-571 % similar (2-(Trifluoromethyl)phenyl)acetic acid3038-48-063 % similar 2,4-Difluorophenylacetic acid81228-09-363 % similar 2-Chloro-4-fluorobenzeneacetic acid177985-32-960 % similar 2-Bromo-4-fluorobenzeneacetic acid61150-59-260 % similar 2,5-Difluorobenzeneacetic acid85068-27-559 % similar 2,5-Bis(trifluoromethyl)benzeneacetic acid302912-02-359 % similar 2-(Carboxymethyl)-5-fluorobenzoic acid583880-95-959 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 2H-tetrafluorobenzoate122894-73-9 2-Fluoro-6-(trifluoromethyl)phenylacetic acid179946-32-8 3-Fluoro-5-(trifluoromethyl)phenylacetic acid195447-79-1 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

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