CAS 898790-11-9

1-Propanone, 1-(3,4-difluorophenyl)-3-(2-methylphenyl)-

Description:

1-Propanone, 1-(3,4-difluorophenyl)-3-(2-methylphenyl)-, also known by its CAS number 898790-11-9, is an organic compound characterized by its ketone functional group. This substance features a propanone backbone with two distinct aromatic substituents: a 3,4-difluorophenyl group and a 2-methylphenyl group. The presence of fluorine atoms in the phenyl ring can influence the compound's reactivity, polarity, and overall chemical behavior, potentially enhancing its lipophilicity and affecting its interaction with biological systems. The methyl group on the second phenyl ring contributes to steric hindrance, which may impact the compound's conformation and reactivity. As a ketone, it is likely to exhibit typical ketone properties, such as being a polar solvent and participating in nucleophilic addition reactions. The compound's specific applications and behavior would depend on its structural characteristics, making it of interest in fields such as medicinal chemistry and materials science. Safety and handling considerations should be taken into account due to the presence of fluorinated groups, which can pose unique environmental and health risks.

Formula: C₁₆H₁₄F₂O

InChI: InChI=1S/C16H14F2O/c1-11-4-2-3-5-12(11)7-9-16(19)13-6-8-14(17)15(18)10-13/h2-6,8,10H,7,9H2,1H3

InChI key: InChIKey=PMHYNFUFHNOMLH-UHFFFAOYSA-N

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

Synonyms:

• 1-(3,4-Difluorophenyl)-3-(2-methylphenyl)propan-1-one
• 1-Propanone, 1-(3,4-difluorophenyl)-3-(2-methylphenyl)-