chempirical

[2-(Trifluoromethyl)phenyl]acetic acid

C9H7F3O2CAS 3038-48-0204.15 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
100–102 °C
logP
2.33Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
3038-48-0
SMILES
O=C(O)Cc1ccccc1C(F)(F)F
InChIKey
TYOCDHCKTWANIR-UHFFFAOYSA-N
InChI
InChI=1S/C9H7F3O2/c10-9(11,12)7-4-2-1-3-6(7)5-8(13)14/h1-4H,5H2,(H,13,14)

Weigh it out

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

Names and synonyms

6 names
  • Benzeneacetic acid, 2-(trifluoromethyl)-
  • Acetic acid, (α,α,α-trifluoro-o-tolyl)-
  • 2-(Trifluoromethyl)benzeneacetic acid
  • (α,α,α-Trifluoro-o-tolyl)acetic acid
  • o-(Trifluoromethyl)phenylacetic acid
  • 2-[2-(Trifluoromethyl)phenyl]acetic acid

Work with [2-(Trifluoromethyl)phenyl]acetic 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)benzenepropanoic acid94022-99-871 % similar 2,5-Bis(trifluoromethyl)benzeneacetic acid302912-02-365 % similar 1,2-Benzenediacetic acid7500-53-063 % similar 4-Fluoro-2-(trifluoromethyl)benzeneacetic acid195447-80-463 % similar 2-(Trifluoromethoxy)benzeneacetic acid220239-67-858 % similar (2-Fluorophenyl)acetic acid451-82-157 % similar 2-Bromophenylacetic acid18698-97-054 % similar (2-Hydroxyphenyl)acetic acid614-75-554 % 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 4-(Trifluoromethyl)benzeneacetic acid32857-62-8 [3-(Trifluoromethyl)phenyl]acetic acid351-35-9

Elsewhere

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