CAS 898786-07-7

6-Chloro-1-[4-(trifluoromethoxy)phenyl]-1-hexanone

Description:

6-Chloro-1-[4-(trifluoromethoxy)phenyl]-1-hexanone is an organic compound characterized by its unique molecular structure, which includes a hexanone backbone substituted with a chloro group and a trifluoromethoxy phenyl group. The presence of the chloro substituent enhances its reactivity, while the trifluoromethoxy group contributes to its lipophilicity and potential biological activity. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents due to its hydrophobic characteristics. Its trifluoromethoxy group can impart significant electronic effects, influencing the compound's reactivity and interaction with biological targets. As a synthetic intermediate, it may be utilized in the development of pharmaceuticals or agrochemicals. Safety data should be consulted for handling, as halogenated compounds can pose environmental and health risks. Overall, 6-Chloro-1-[4-(trifluoromethoxy)phenyl]-1-hexanone is notable for its structural complexity and potential applications in various chemical fields.

Formula: C₁₃H₁₄ClF₃O₂

InChI: InChI=1/C13H14ClF3O2/c14-9-3-1-2-4-12(18)10-5-7-11(8-6-10)19-13(15,16)17/h5-8H,1-4,9H2

InChI key: InChIKey=CAXGQIDURIQBPW-UHFFFAOYSA-N

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

Synonyms:

• 1-Hexanone, 6-chloro-1-[4-(trifluoromethoxy)phenyl]-
• 6-Chloro-1-[4-(trifluoromethoxy)phenyl]-1-hexanone