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CAS 898777-74-7

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4-[1-Oxo-3-(3,4,5-trifluorophenyl)propyl]benzonitrile

Description:
4-[1-Oxo-3-(3,4,5-trifluorophenyl)propyl]benzonitrile, with the CAS number 898777-74-7, is a synthetic organic compound characterized by its complex structure, which includes a benzonitrile moiety and a trifluorophenyl group. This compound typically exhibits properties associated with aromatic compounds, such as stability and potential for pi-stacking interactions due to its conjugated system. The presence of the trifluoromethyl groups enhances its lipophilicity and may influence its biological activity, making it of interest in pharmaceutical research. The carbonyl group in the propyl chain contributes to its reactivity, potentially allowing for further chemical modifications. Additionally, the nitrile functional group can participate in various chemical reactions, including nucleophilic additions. Overall, this compound's unique structural features suggest potential applications in medicinal chemistry, particularly in the development of novel therapeutic agents. Its physical properties, such as solubility and melting point, would depend on the specific conditions and purity of the sample.
Formula:C16H10F3NO
InChI:InChI=1S/C16H10F3NO/c17-13-7-11(8-14(18)16(13)19)3-6-15(21)12-4-1-10(9-20)2-5-12/h1-2,4-5,7-8H,3,6H2
InChI key:InChIKey=HHVHAORYTUCZIN-UHFFFAOYSA-N
SMILES:C(CCC1=CC(F)=C(F)C(F)=C1)(=O)C2=CC=C(C#N)C=C2
Synonyms:
  • Benzonitrile, 4-[1-oxo-3-(3,4,5-trifluorophenyl)propyl]-
  • 4-[1-Oxo-3-(3,4,5-trifluorophenyl)propyl]benzonitrile
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