CAS 898783-68-1

7-Chloro-1-[2-(trifluoromethyl)phenyl]-1-heptanone

Description:

7-Chloro-1-[2-(trifluoromethyl)phenyl]-1-heptanone, with the CAS number 898783-68-1, is an organic compound characterized by its unique structure, which includes a heptanone backbone substituted with a chloro group and a trifluoromethylphenyl moiety. This compound typically exhibits properties associated with ketones, such as being a polar solvent and having a relatively high boiling point due to the presence of the carbonyl group. The trifluoromethyl group contributes to its lipophilicity and can enhance biological activity, making it of interest in pharmaceutical research. The chlorine atom adds to the compound's reactivity and may influence its interaction with biological targets. Additionally, the presence of multiple functional groups suggests potential applications in medicinal chemistry, particularly in the development of novel therapeutic agents. Safety data should be consulted for handling and storage, as halogenated compounds can pose environmental and health risks. Overall, this compound's unique structural features make it a subject of interest in various chemical and biological studies.

Formula: C₁₄H₁₆ClF₃O

InChI: InChI=1/C14H16ClF3O/c15-10-6-2-1-3-9-13(19)11-7-4-5-8-12(11)14(16,17)18/h4-5,7-8H,1-3,6,9-10H2

InChI key: InChIKey=ZIYGNAUXTFGCGF-UHFFFAOYSA-N

SMILES: C(CCCCCCCl)(=O)C1=C(C(F)(F)F)C=CC=C1

Synonyms:

• 7-Chloro-1-[2-(trifluoromethyl)phenyl]-1-heptanone
• 1-Heptanone, 7-chloro-1-[2-(trifluoromethyl)phenyl]-