CAS 898783-72-7

ζ-Oxo-4-(trifluoromethyl)benzeneheptanenitrile

Description:

ζ-Oxo-4-(trifluoromethyl)benzeneheptanenitrile, with the CAS number 898783-72-7, is a synthetic organic compound characterized by its complex structure, which includes a benzene ring substituted with a trifluoromethyl group and a heptanenitrile chain. The presence of the trifluoromethyl group imparts unique electronic properties, enhancing the compound's lipophilicity and potentially influencing its reactivity and interactions with biological systems. The nitrile functional group contributes to the compound's polarity and can participate in various chemical reactions, such as nucleophilic additions. This compound may exhibit interesting pharmacological properties, making it of interest in medicinal chemistry and drug development. Its synthesis typically involves multi-step organic reactions, and it may be utilized in research settings for studying structure-activity relationships or as a building block in the synthesis of more complex molecules. Safety data and handling precautions should be observed due to the potential toxicity associated with fluorinated compounds and nitriles.

Formula: C₁₄H₁₄F₃NO

InChI: InChI=1S/C14H14F3NO/c15-14(16,17)12-8-6-11(7-9-12)13(19)5-3-1-2-4-10-18/h6-9H,1-5H2

InChI key: InChIKey=AMGBXJDSVRZTET-UHFFFAOYSA-N

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

Synonyms:

• Benzeneheptanenitrile, ζ-oxo-4-(trifluoromethyl)-
• ζ-Oxo-4-(trifluoromethyl)benzeneheptanenitrile