CAS 898766-37-5

7-(2,5-difluorophenyl)-7-oxo-heptanoic acid

Description:

7-(2,5-Difluorophenyl)-7-oxo-heptanoic acid is a chemical compound characterized by its unique structure, which includes a heptanoic acid backbone with a ketone functional group and a difluorophenyl substituent. The presence of the two fluorine atoms on the phenyl ring enhances its lipophilicity and may influence its biological activity. This compound is typically classified as an organic acid due to the carboxylic acid functional group (-COOH) present in its structure. Its molecular structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, as the modifications can affect the compound's interaction with biological targets. The compound's CAS number, 898766-37-5, is a unique identifier that facilitates its identification in chemical databases. As with many organic compounds, its solubility, stability, and reactivity can vary based on environmental conditions such as pH and temperature. Overall, 7-(2,5-difluorophenyl)-7-oxo-heptanoic acid represents a class of compounds that may exhibit interesting chemical and biological properties.

Formula: C₁₃H₁₄F₂O₃

InChI: InChI=1/C13H14F2O3/c14-9-6-7-11(15)10(8-9)12(16)4-2-1-3-5-13(17)18/h6-8H,1-5H2,(H,17,18)

InChI key: InChIKey=XXUWOZUDVIXQLD-UHFFFAOYSA-N

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

Synonyms:

• 2,5-Difluoro-ζ-oxobenzeneheptanoic acid
• Benzeneheptanoic acid, 2,5-difluoro-ζ-oxo-
• 7-(2,5-DIFLUOROPHENYL)-7-OXOHEPTANOIC ACID