CAS 898778-03-5

1-Propanone, 1-(2,5-dimethylphenyl)-3-(3,4,5-trifluorophenyl)-

Description:

1-Propanone, 1-(2,5-dimethylphenyl)-3-(3,4,5-trifluorophenyl)-, also known by its CAS number 898778-03-5, is an organic compound characterized by its ketone functional group. This substance features a propanone backbone with two distinct aromatic substituents: a 2,5-dimethylphenyl group and a 3,4,5-trifluorophenyl group. The presence of the trifluoromethyl groups contributes to its unique electronic properties, potentially enhancing its reactivity and solubility in various solvents. The compound is likely to exhibit moderate volatility and may have a relatively low boiling point compared to larger organic molecules. Its structural complexity suggests potential applications in pharmaceuticals, agrochemicals, or as an intermediate in organic synthesis. Additionally, the presence of multiple functional groups may influence its interactions with biological systems, making it a candidate for further research in medicinal chemistry. Safety data and handling precautions should be considered due to the presence of fluorine, which can impart toxicity and environmental concerns.

Formula: C₁₇H₁₅F₃O

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

InChI key: InChIKey=XQGKQTOAMSOAFF-UHFFFAOYSA-N

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

Synonyms:

• 2′,5′-Dimethyl-3-(3,4,5-trifluorophenyl)-propiophenone
• 1-Propanone, 1-(2,5-dimethylphenyl)-3-(3,4,5-trifluorophenyl)-
• 1-(2,5-Dimethylphenyl)-3-(3,4,5-trifluorophenyl)-1-propanone