CAS 898788-04-0

4-[3,5-bis(trifluoromethyl)phenyl]-4-oxo-butanoic acid

Description:

4-[3,5-bis(trifluoromethyl)phenyl]-4-oxo-butanoic acid, identified by its CAS number 898788-04-0, is an organic compound characterized by its unique structure that includes a butanoic acid moiety and a phenyl group substituted with two trifluoromethyl groups. This compound typically exhibits properties associated with both acidic and aromatic functionalities, making it a potential candidate for various chemical applications. The presence of trifluoromethyl groups enhances its lipophilicity and may influence its reactivity and interaction with biological systems. The compound is likely to be solid at room temperature and may have moderate solubility in organic solvents. Its chemical behavior can be influenced by the electron-withdrawing nature of the trifluoromethyl groups, which can affect acidity and reactivity in chemical reactions. Due to its structural characteristics, this compound may be of interest in fields such as medicinal chemistry, agrochemicals, or materials science, where fluorinated compounds are often explored for their unique properties.

Formula: C₁₂H₈F₆O₃

InChI: InChI=1/C12H8F6O3/c13-11(14,15)7-3-6(9(19)1-2-10(20)21)4-8(5-7)12(16,17)18/h3-5H,1-2H2,(H,20,21)

SMILES: C(CC(=O)O)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F