CAS 898765-00-9

3,3-Dimethyl-1-(3,4,5-trifluorophenyl)-1-butanone

Description:

3,3-Dimethyl-1-(3,4,5-trifluorophenyl)-1-butanone is an organic compound characterized by its ketone functional group, which is central to its structure. This compound features a butanone backbone with two methyl groups attached to the third carbon, contributing to its branched structure. The presence of a trifluorophenyl group at the first carbon introduces significant electronegativity due to the three fluorine atoms, which can influence the compound's reactivity and polarity. This substitution can enhance the compound's lipophilicity and may affect its interaction with biological systems. The molecular structure suggests potential applications in pharmaceuticals or agrochemicals, where fluorinated compounds are often valued for their unique properties. Additionally, the compound's stability and reactivity can be influenced by the steric hindrance provided by the dimethyl groups and the electronic effects of the trifluorophenyl moiety. Overall, 3,3-Dimethyl-1-(3,4,5-trifluorophenyl)-1-butanone exemplifies a complex organic molecule with potential utility in various chemical applications.

Formula: C₁₂H₁₃F₃O

InChI: InChI=1/C12H13F3O/c1-12(2,3)6-10(16)7-4-8(13)11(15)9(14)5-7/h4-5H,6H2,1-3H3

InChI key: InChIKey=AUTGVXACURNHTC-UHFFFAOYSA-N

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

Synonyms:

• 3,3-Dimethyl-1-(3,4,5-trifluorophenyl)-1-butanone
• 1-Butanone, 3,3-dimethyl-1-(3,4,5-trifluorophenyl)-