CAS 898766-36-4

2,2-dimethyl-1-[2-(trifluoromethyl)phenyl]propan-1-one

Description:

2,2-Dimethyl-1-[2-(trifluoromethyl)phenyl]propan-1-one, identified by its CAS number 898766-36-4, is an organic compound characterized by its ketone functional group. This substance features a propanone backbone with two methyl groups attached to the second carbon, contributing to its branched structure. The presence of a trifluoromethyl group on the phenyl ring significantly influences its chemical properties, enhancing its lipophilicity and potentially affecting its reactivity and stability. The trifluoromethyl group is known for imparting unique electronic characteristics, which can enhance the compound's biological activity and interactions with other molecules. This compound is typically used in organic synthesis and may serve as an intermediate in the production of pharmaceuticals or agrochemicals. Its physical properties, such as boiling point, melting point, and solubility, would depend on the specific molecular interactions and the presence of functional groups. Safety data should be consulted for handling, as compounds with trifluoromethyl groups can exhibit toxicity or environmental concerns.

Formula: C₁₂H₁₃F₃O

InChI: InChI=1/C12H13F3O/c1-11(2,3)10(16)8-6-4-5-7-9(8)12(13,14)15/h4-7H,1-3H3

SMILES: CC(C)(C)C(=O)c1ccccc1C(F)(F)F