CAS 898765-46-3

1-(3-Fluorophenyl)-2,2-dimethyl-1-butanone

Description:

1-(3-Fluorophenyl)-2,2-dimethyl-1-butanone, identified by its CAS number 898765-46-3, is an organic compound characterized by its ketone functional group and a substituted aromatic ring. The presence of a fluorine atom on the phenyl ring influences its chemical reactivity and physical properties, such as polarity and solubility. This compound typically exhibits a relatively low boiling point and moderate volatility, common for ketones, due to the presence of the bulky dimethyl group which can affect steric hindrance. Its structure suggests potential applications in organic synthesis and as an intermediate in the production of pharmaceuticals or agrochemicals. The fluorine substitution may enhance its biological activity or alter its interaction with biological systems. As with many organic compounds, safety data should be consulted to understand its toxicity, handling precautions, and environmental impact. Overall, 1-(3-Fluorophenyl)-2,2-dimethyl-1-butanone represents a unique compound with specific characteristics that can be leveraged in various chemical applications.

Formula: C₁₂H₁₅FO

InChI: InChI=1S/C12H15FO/c1-4-12(2,3)11(14)9-6-5-7-10(13)8-9/h5-8H,4H2,1-3H3

InChI key: InChIKey=CCHZNRKLSQSJCT-UHFFFAOYSA-N

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

Synonyms:

• 1-(3-Fluorophenyl)-2,2-dimethyl-1-butanone
• 1-Butanone, 1-(3-fluorophenyl)-2,2-dimethyl-