chempirical

4-(Trifluoromethyl)benzeneacetic acid

C9H7F3O2CAS 32857-62-8204.15 g/mol

Open in Covalent MOL file
OHOFFF
Alkyl halideCarboxylic acid

Properties

Molecular formula
C9H7F3O2
Molar mass
204.15 g/mol
Exact mass
204.0398 Da
Melting point
83–85 °C
logP
2.33Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
32857-62-8
SMILES
O=C(O)Cc1ccc(C(F)(F)F)cc1
InChIKey
HNORVZDAANCHAY-UHFFFAOYSA-N
InChI
InChI=1S/C9H7F3O2/c10-9(11,12)7-3-1-6(2-4-7)5-8(13)14/h1-4H,5H2,(H,13,14)

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

Names and synonyms

5 names
  • Benzeneacetic acid, 4-(trifluoromethyl)-
  • Acetic acid, (α,α,α-trifluoro-p-tolyl)-
  • (α,α,α-Trifluoro-p-tolyl)acetic acid
  • p-(Trifluoromethyl)phenylacetic acid
  • 2-(4-Trifluoromethylphenyl)acetic acid

Work with 4-(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

3,5-Bis(trifluoromethyl)phenylacetic acid85068-33-369 % similar 1,4-Benzenediacetic acid7325-46-467 % similar 4-(1,1-Dimethylethyl)benzeneacetic acid32857-63-964 % similar 4-Fluoro-3-(trifluoromethyl)benzeneacetic acid220227-47-459 % similar 2,5-Bis(trifluoromethyl)benzeneacetic acid302912-02-359 % similar (4-Fluorophenyl)acetic acid405-50-559 % similar 4-(Trifluoromethylthio)phenylacetic acid102582-93-458 % similar 4-[(Trifluoromethyl)thio]benzeneacetic acid243977-23-358 % similar

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

Same formula

4-Methoxy-2-(trifluoromethyl)benzaldehyde106312-36-1 4-Methyl-2-(trifluoromethyl)benzoic acid120985-64-0 2-Methyl-5-(trifluoromethyl)benzoic acid13055-63-5 2-Methoxy-4-(trifluoromethyl)benzaldehyde132927-09-4 Methyl 3-trifluoromethylbenzoate2557-13-3 4-Methyl-3-(trifluoromethyl)benzoic acid261952-01-6 [2-(Trifluoromethyl)phenyl]acetic acid3038-48-0 [3-(Trifluoromethyl)phenyl]acetic acid351-35-9

Elsewhere

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