CAS 898764-98-2

1-(3,5-Difluorophenyl)-3,3-dimethyl-1-butanone

Description:

1-(3,5-Difluorophenyl)-3,3-dimethyl-1-butanone, with the CAS number 898764-98-2, is an organic compound characterized by its unique structure, which includes a butanone backbone substituted with a 3,5-difluorophenyl group. This compound typically exhibits a moderate to high polarity due to the presence of the carbonyl functional group, which can engage in hydrogen bonding. The difluorophenyl substituent contributes to its electronic properties, potentially enhancing its reactivity and influencing its interactions with other molecules. It may be used in various applications, including pharmaceuticals and agrochemicals, owing to its potential biological activity. The presence of fluorine atoms often imparts unique characteristics, such as increased lipophilicity and metabolic stability. Additionally, the compound's physical properties, such as boiling point and solubility, would be influenced by its molecular structure and substituents. Safety data and handling precautions should be considered, as with any chemical substance, to ensure proper usage and minimize risks.

Formula: C₁₂H₁₄F₂O

InChI: InChI=1S/C12H14F2O/c1-12(2,3)7-11(15)8-4-9(13)6-10(14)5-8/h4-6H,7H2,1-3H3

InChI key: InChIKey=OHYJMNQBOUZFJU-UHFFFAOYSA-N

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

Synonyms:

• 1-(3,5-Difluorophenyl)-3,3-dimethyl-1-butanone
• 1-Butanone, 1-(3,5-difluorophenyl)-3,3-dimethyl-