3-(3,5-Difluorophenyl)propionic acid

C₉H₈F₂O₂CAS 84315-24-2186.16 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₉H₈F₂O₂
Molar mass: 186.16 g/mol
Exact mass: 186.0492 Da
logP: 1.98Crippen estimate
Polar surface area: 37.3 Å²
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

84315-24-2

SMILES

C1=C(C=C(C=C1F)F)CCC(=O)O

InChIKey

SAAKANGUQMVTHQ-UHFFFAOYSA-N

InChI

InChI=1S/C9H8F2O2/c10-7-3-6(1-2-9(12)13)4-8(11)5-7/h3-5H,1-2H2,(H,12,13)

Weigh it out

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

Work with 3-(3,5-Difluorophenyl)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

3-(3-Fluorophenyl)propionic acid458-45-772 % similar 3-(4-Fluorophenyl)propionic acid459-31-470 % similar 3,5-Difluorophenylacetic acid105184-38-167 % similar 1,4-Benzenedipropanoic acid4251-21-261 % similar 4-(4-Fluorophenyl)butanoic acid589-06-056 % similar Phenylpropanoic acid501-52-055 % similar 4-Fluorobenzenepentanoic acid24484-22-854 % similar 3,5-Dimethoxyphenylpropionic acid717-94-253 % similar

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

Same formula

Ethyl 2,4-difluorobenzoate108928-00-3 Ethyl 3,4-difluorobenzoate144267-96-9 3,4-Difluorohydrocinnamic acid161712-75-0 1-(3,5-Difluoro-4-hydroxyphenyl)propan-1-one178374-78-2 1-[4-(Difluoromethoxy)phenyl]ethanone83882-67-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook