CAS 898778-42-2

1-Propanone, 1-(2-chloro-4-fluorophenyl)-3-(3,4,5-trifluorophenyl)-

Description:

1-Propanone, 1-(2-chloro-4-fluorophenyl)-3-(3,4,5-trifluorophenyl)-, also known by its CAS number 898778-42-2, is an organic compound characterized by its ketone functional group and a complex aromatic structure. This compound features a propanone backbone with two distinct aromatic substituents: a 2-chloro-4-fluorophenyl group and a 3,4,5-trifluorophenyl group. The presence of multiple fluorine atoms contributes to its potential as a lipophilic compound, which may influence its solubility and reactivity. The chlorine substituent can also affect the electronic properties of the molecule, potentially enhancing its biological activity. Such compounds are often studied for their applications in pharmaceuticals, agrochemicals, and materials science due to their unique chemical properties. Additionally, the presence of halogens like chlorine and fluorine can impart specific characteristics such as increased stability and altered interaction with biological targets. Overall, this compound exemplifies the complexity and versatility of halogenated aromatic ketones in chemical research and application.

Formula: C₁₅H₉ClF₄O

InChI: InChI=1S/C15H9ClF4O/c16-11-7-9(17)2-3-10(11)14(21)4-1-8-5-12(18)15(20)13(19)6-8/h2-3,5-7H,1,4H2

InChI key: InChIKey=ZHCAEXDYQWURPM-UHFFFAOYSA-N

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

Synonyms:

• 1-Propanone, 1-(2-chloro-4-fluorophenyl)-3-(3,4,5-trifluorophenyl)-
• 1-(2-Chloro-4-fluorophenyl)-3-(3,4,5-trifluorophenyl)-1-propanone