2,5-Bis(trifluoromethyl)benzeneacetic acid

C₁₀H₆F₆O₂CAS 302912-02-3272.15 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid

Properties

Molecular formula: C₁₀H₆F₆O₂
Molar mass: 272.15 g/mol
Exact mass: 272.0272 Da
logP: 3.35Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Identifiers

CAS number

302912-02-3

SMILES

O=C(O)Cc1cc(C(F)(F)F)ccc1C(F)(F)F

InChIKey

AWTNYFICBCCTBY-UHFFFAOYSA-N

InChI

InChI=1S/C10H6F6O2/c11-9(12,13)6-1-2-7(10(14,15)16)5(3-6)4-8(17)18/h1-3H,4H2,(H,17,18)

Weigh it out

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

Names and synonyms

3 names

Benzeneacetic acid, 2,5-bis(trifluoromethyl)-
2,5-Bis(trifluoromethyl)phenylacetic acid
2-[2,5-Bis(trifluoromethyl)phenyl]acetic acid

Work with 2,5-Bis(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 acid3038-48-065 % similar 4-(Trifluoromethyl)benzeneacetic acid32857-62-859 % similar 4-Fluoro-2-(trifluoromethyl)benzeneacetic acid195447-80-459 % similar 2-Nitro-4-(trifluoromethyl)benzeneacetic acid1735-91-758 % similar [3-(Trifluoromethyl)phenyl]acetic acid351-35-957 % similar 2-(Bromomethyl)-1,4-bis(trifluoromethyl)benzene302911-98-453 % similar 2,5-Bis(trifluoromethyl)benzoic acid42580-42-753 % similar 4-Fluoro-3-(trifluoromethyl)benzeneacetic acid220227-47-452 % similar

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

Same formula

Methyl 3,5-bistrifluoromethylbenzoate26107-80-2 3,5-Bis(trifluoromethyl)phenylacetic acid85068-33-3

Elsewhere

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