CAS 898791-01-0

ζ-Oxo-2-(trifluoromethyl)benzeneheptanoic acid

Description:

ζ-Oxo-2-(trifluoromethyl)benzeneheptanoic acid, identified by its CAS number 898791-01-0, is a chemical compound characterized by its unique structure that includes a heptanoic acid backbone and a trifluoromethyl group attached to a benzene ring. This compound features a ketone functional group (the "ζ-oxo" part), which contributes to its reactivity and potential applications in organic synthesis. The presence of the trifluoromethyl group enhances its lipophilicity and may influence its biological activity, making it of interest in pharmaceutical research. The heptanoic acid moiety provides a medium-length carbon chain, which can affect the compound's solubility and interaction with biological systems. Overall, this compound's distinctive features make it a subject of interest in various fields, including medicinal chemistry and materials science, where its properties can be exploited for developing new drugs or functional materials.

Formula: C₁₄H₁₅F₃O₃

InChI: InChI=1S/C14H15F3O3/c15-14(16,17)11-7-5-4-6-10(11)12(18)8-2-1-3-9-13(19)20/h4-7H,1-3,8-9H2,(H,19,20)

InChI key: InChIKey=VFXIIKTWIBQFQS-UHFFFAOYSA-N

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

Synonyms:

• ζ-Oxo-2-(trifluoromethyl)benzeneheptanoic acid
• Benzeneheptanoic acid, ζ-oxo-2-(trifluoromethyl)-