chempirical

3-(4-(Trifluoromethyl)phenyl)propionic Acid

C10H9F3O2CAS 53473-36-2218.18 g/mol

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OHOFFF
Alkyl halideCarboxylic acid

Properties

Molecular formula
C10H9F3O2
Molar mass
218.18 g/mol
Exact mass
218.0555 Da
logP
2.72Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
53473-36-2
SMILES
C1=CC(=CC=C1CCC(=O)O)C(F)(F)F
InChIKey
OEIUMLSCWINLBB-UHFFFAOYSA-N
InChI
InChI=1S/C10H9F3O2/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(14)15/h1-2,4-5H,3,6H2,(H,14,15)

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Names and synonyms

1 names
  • 4-(Trifluoromethyl)hydrocinnamic acid

Work with 3-(4-(Trifluoromethyl)phenyl)propionic 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

4-(Trifluoromethyl)benzeneacetic acid32857-62-872 % similar 1,4-Benzenedipropanoic acid4251-21-268 % similar 3-(4-Fluorophenyl)propionic acid459-31-461 % similar Phloretic acid501-97-358 % similar Phenylpropanoic acid501-52-056 % similar 3-(4-Methylphenyl)propionic acid1505-50-656 % similar 3-(4-Iodophenyl)propionic acid1643-29-456 % similar 3-(4-Bromophenyl)propionic acid1643-30-756 % similar

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

Same formula

4'-Methoxy-3'-(trifluoromethyl)acetophenone149105-10-2 Methyl 2-methyl-3-(trifluoromethyl)benzoate346603-63-2 Ethyl o-(trifluoromethyl)benzoate577-62-8 Ethyl 4-trifluoromethylbenzoate583-02-8 3-(3-Trifluoromethylphenyl)propanoic acid585-50-2 Ethyl 3-(trifluoromethyl)benzoate76783-59-0 2-(Trifluoromethyl)benzenepropanoic acid94022-99-8

Elsewhere

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