CAS 898764-74-4

3,3-Dimethyl-1-[3-(trifluoromethyl)phenyl]-1-butanone

Description:

3,3-Dimethyl-1-[3-(trifluoromethyl)phenyl]-1-butanone, identified by its CAS number 898764-74-4, is an organic compound characterized by its unique molecular structure, which includes a butanone backbone substituted with both dimethyl and trifluoromethyl groups. This compound typically exhibits a relatively low boiling point and moderate solubility in organic solvents, reflecting its hydrophobic nature due to the presence of the trifluoromethyl group. The trifluoromethyl group is known for imparting significant electronic effects, enhancing the compound's reactivity and potential applications in various chemical reactions, including those in medicinal chemistry and materials science. Additionally, the presence of the aromatic phenyl ring contributes to the compound's stability and can influence its interaction with biological systems. Overall, 3,3-Dimethyl-1-[3-(trifluoromethyl)phenyl]-1-butanone is of interest in research and industrial applications due to its distinctive properties and functional groups.

Formula: C₁₃H₁₅F₃O

InChI: InChI=1S/C13H15F3O/c1-12(2,3)8-11(17)9-5-4-6-10(7-9)13(14,15)16/h4-7H,8H2,1-3H3

InChI key: InChIKey=RADFQZAHBGMHQW-UHFFFAOYSA-N

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

Synonyms:

• 3,3-Dimethyl-1-[3-(trifluoromethyl)phenyl]-1-butanone
• 1-Butanone, 3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]-