CAS 898784-59-3

4-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzonitrile

Description:

4-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzonitrile, with the CAS number 898784-59-3, is a synthetic organic compound characterized by its complex molecular structure. It features a benzonitrile moiety, which is a benzene ring substituted with a nitrile group, and a ketone functional group linked to a trifluoromethyl-substituted phenyl group. The presence of the trifluoromethyl group enhances the compound's lipophilicity and may influence its biological activity. This compound is typically used in pharmaceutical research and development, particularly in the synthesis of potential drug candidates. Its unique structure may impart specific properties such as increased potency or selectivity in biological assays. Additionally, the compound's stability and reactivity can be influenced by the electron-withdrawing nature of the trifluoromethyl group and the overall electronic environment of the molecule. As with many synthetic organic compounds, safety and handling precautions should be observed due to potential toxicity or reactivity.

Formula: C₁₆H₁₀F₃NO

InChI: InChI=1/C16H10F3NO/c17-16(18,19)14-7-5-13(6-8-14)15(21)9-11-1-3-12(10-20)4-2-11/h1-8H,9H2

SMILES: c1cc(ccc1CC(=O)c1ccc(cc1)C(F)(F)F)C#N