CAS 898788-79-9

2-[3-(3-fluorophenyl)propanoyl]benzonitrile

Description:

2-[3-(3-Fluorophenyl)propanoyl]benzonitrile, identified by its CAS number 898788-79-9, is an organic compound characterized by its complex structure, which includes a benzonitrile moiety and a propanoyl group substituted with a 3-fluorophenyl group. This compound typically exhibits properties associated with aromatic compounds, such as stability and potential for various chemical reactions, including electrophilic substitutions. The presence of the nitrile functional group (-C≡N) contributes to its polarity and can influence its solubility in organic solvents. Additionally, the fluorine atom in the 3-fluorophenyl group can enhance the compound's lipophilicity and may affect its biological activity, making it of interest in pharmaceutical research. The compound's molecular interactions, including hydrogen bonding and π-π stacking due to its aromatic rings, can play a significant role in its reactivity and potential applications in drug development or material science. Overall, 2-[3-(3-fluorophenyl)propanoyl]benzonitrile is a compound of interest for its unique structural features and potential utility in various chemical contexts.

Formula: C₁₆H₁₂FNO

InChI: InChI=1/C16H12FNO/c17-14-6-3-4-12(10-14)8-9-16(19)15-7-2-1-5-13(15)11-18/h1-7,10H,8-9H2

SMILES: c1ccc(c(c1)C#N)C(=O)CCc1cccc(c1)F