CAS 118569-68-9

2,2,2-Trifluoro-1-[4-(2-methylpropyl)phenyl]ethanone

Description:

2,2,2-Trifluoro-1-[4-(2-methylpropyl)phenyl]ethanone, with the CAS number 118569-68-9, is an organic compound characterized by its unique trifluoromethyl and ketone functional groups. This compound features a trifluoroethyl group attached to a phenyl ring that is further substituted with a branched alkyl group, specifically isobutyl. The presence of the trifluoromethyl group imparts significant polarity and influences the compound's reactivity, making it useful in various chemical applications, including as a building block in pharmaceuticals and agrochemicals. The ketone functional group contributes to its potential as a reactive intermediate in organic synthesis. Additionally, the compound's structure suggests it may exhibit interesting physical properties, such as volatility and solubility in organic solvents, which are important for its handling and application in laboratory settings. Safety data should be consulted for proper handling, as compounds with trifluoromethyl groups can exhibit toxicity and environmental persistence. Overall, this compound represents a versatile structure in synthetic organic chemistry.

Formula: C₁₂H₁₃F₃O

InChI: InChI=1S/C12H13F3O/c1-8(2)7-9-3-5-10(6-4-9)11(16)12(13,14)15/h3-6,8H,7H2,1-2H3

InChI key: InChIKey=RLICWPXGGGICOA-UHFFFAOYSA-N

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

Synonyms:

• Ethanone, 2,2,2-trifluoro-1-[4-(2-methylpropyl)phenyl]-
• 2,2,2-Trifluoro-1-[4-(2-methylpropyl)phenyl]ethanone
• 2,2,2-Trifluoro-1-[4-(2-methylpropyl)phenyl]ethan-1-one