CAS 898788-85-7

4-[3-(3-Fluorophenyl)-1-oxopropyl]benzonitrile

Description:

4-[3-(3-Fluorophenyl)-1-oxopropyl]benzonitrile, with the CAS number 898788-85-7, is a chemical compound characterized by its complex structure, which includes a benzonitrile moiety and a propanoyl group substituted with a fluorophenyl ring. This compound typically exhibits properties associated with aromatic compounds, such as stability and potential for various chemical reactions due to the presence of functional groups. The fluorine atom in the 3-fluorophenyl group can influence the compound's electronic properties, potentially enhancing its reactivity or altering its interaction with biological targets. The presence of the nitrile group (-C≡N) suggests that it may participate in nucleophilic addition reactions and could serve as a precursor for further chemical modifications. Additionally, compounds like this may have applications in pharmaceuticals or materials science, depending on their biological activity and physical properties, such as solubility and melting point. Overall, the characteristics of this compound make it a subject of interest in various fields of chemical research.

Formula: C₁₆H₁₂FNO

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

InChI key: InChIKey=BTJPIKZDWLZJRM-UHFFFAOYSA-N

SMILES: C(CCC1=CC(F)=CC=C1)(=O)C2=CC=C(C#N)C=C2

Synonyms:

• Benzonitrile, 4-[3-(3-fluorophenyl)-1-oxopropyl]-
• 4-[3-(3-Fluorophenyl)-1-oxopropyl]benzonitrile