CAS 898781-16-3

1-Propanone, 1-(3,5-difluorophenyl)-3-(3,5-dimethylphenyl)-

Description:

1-Propanone, 1-(3,5-difluorophenyl)-3-(3,5-dimethylphenyl)-, also known by its CAS number 898781-16-3, is an organic compound characterized by its ketone functional group, which is central to its structure. This compound features a propanone backbone with two distinct aromatic substituents: a 3,5-difluorophenyl group and a 3,5-dimethylphenyl group. The presence of fluorine atoms in the difluorophenyl group can influence the compound's reactivity and physical properties, such as polarity and boiling point. The dimethyl groups on the second phenyl ring can also affect steric hindrance and electronic properties. Generally, compounds of this nature are of interest in various fields, including pharmaceuticals and materials science, due to their potential biological activity and utility in synthesis. The specific characteristics, such as solubility, melting point, and reactivity, would depend on the molecular interactions and the overall structure, which can be further explored through experimental data or computational chemistry methods.

Formula: C₁₇H₁₆F₂O

InChI: InChI=1S/C17H16F2O/c1-11-5-12(2)7-13(6-11)3-4-17(20)14-8-15(18)10-16(19)9-14/h5-10H,3-4H2,1-2H3

InChI key: InChIKey=WCHSPWXKLWYALB-UHFFFAOYSA-N

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

Synonyms:

• 1-Propanone, 1-(3,5-difluorophenyl)-3-(3,5-dimethylphenyl)-
• 3′,5′-Difluoro-3-(3,5-dimethylphenyl)propiophenone
• 1-(3,5-Difluorophenyl)-3-(3,5-dimethylphenyl)-1-propanone