CAS 871127-79-6

3,5-Difluoro-ε-oxobenzenehexanoic acid

Description:

3,5-Difluoro-ε-oxobenzenehexanoic acid is a chemical compound characterized by its unique structure, which includes a benzene ring substituted with two fluorine atoms at the 3 and 5 positions, along with a hexanoic acid chain that features a keto group (oxobenzene) at the ε position. This compound is likely to exhibit properties typical of both aromatic and aliphatic acids, including moderate solubility in organic solvents and potential reactivity due to the presence of the carboxylic acid functional group. The fluorine substituents can influence the compound's polarity, reactivity, and biological activity, often enhancing lipophilicity and altering interaction with biological targets. The presence of the keto group may also contribute to its reactivity, making it a potential candidate for various chemical reactions, including condensation and acylation. Overall, 3,5-Difluoro-ε-oxobenzenehexanoic acid is of interest in fields such as medicinal chemistry and materials science, where its unique properties can be leveraged for the development of new compounds or therapeutic agents.

Formula: C₁₂H₁₂F₂O₃

InChI: InChI=1S/C12H12F2O3/c13-9-5-8(6-10(14)7-9)11(15)3-1-2-4-12(16)17/h5-7H,1-4H2,(H,16,17)

InChI key: InChIKey=GPRSZBJFIFKPIA-UHFFFAOYSA-N

SMILES: C(CCCCC(O)=O)(=O)C1=CC(F)=CC(F)=C1

Synonyms:

• 3,5-Difluoro-ε-oxobenzenehexanoic acid
• Benzenehexanoic acid, 3,5-difluoro-ε-oxo-
• 6-(3,5-Difluorophenyl)-6-oxohexanoic acid