4-Fluoro-2-(trifluoromethyl)benzeneacetic acid

C₉H₆F₄O₂CAS 195447-80-4222.14 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

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

4 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

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-(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 5-Fluoro-2-methoxybenzeneacetic acid383134-85-852 % similar 5-Fluoroindole-3-acetic acid443-73-251 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ethyl 2,3,4,5-tetrafluorobenzoate122894-73-9 4-Fluoro-3-(trifluoromethyl)benzeneacetic acid220227-47-4 3-(1,1,2,2-Tetrafluoroethoxy)benzaldehyde35295-35-3 4-(1,1,2,2-Tetrafluoroethoxy)benzaldehyde35295-36-4

Elsewhere

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