CAS 898779-91-4

1-Propanone, 3-(3,4-dimethylphenyl)-1-(3,4,5-trifluorophenyl)-

Description:

1-Propanone, 3-(3,4-dimethylphenyl)-1-(3,4,5-trifluorophenyl)-, also known by its CAS number 898779-91-4, is an organic compound characterized by its ketone functional group. This substance features a propanone backbone with two distinct aromatic substituents: a 3,4-dimethylphenyl group and a 3,4,5-trifluorophenyl group. The presence of multiple methyl and trifluoromethyl groups contributes to its unique chemical properties, including increased lipophilicity and potential reactivity. The trifluoromethyl group, in particular, can enhance the compound's biological activity and influence its interactions in various chemical environments. This compound may be of interest in pharmaceutical research and development due to its structural complexity and potential applications in medicinal chemistry. Additionally, its physical properties, such as boiling point, melting point, and solubility, would be influenced by the presence of these substituents, making it a subject of study for its behavior in different solvents and conditions.

Formula: C₁₇H₁₅F₃O

InChI: InChI=1S/C17H15F3O/c1-10-3-4-12(7-11(10)2)5-6-16(21)13-8-14(18)17(20)15(19)9-13/h3-4,7-9H,5-6H2,1-2H3

InChI key: InChIKey=YWYDQZCNJKGHEH-UHFFFAOYSA-N

SMILES: C(CCC1=CC(C)=C(C)C=C1)(=O)C2=CC(F)=C(F)C(F)=C2

Synonyms:

• 1-Propanone, 3-(3,4-dimethylphenyl)-1-(3,4,5-trifluorophenyl)-
• 3-(3,4-Dimethylphenyl)-1-(3,4,5-trifluorophenyl)-1-propanone