CAS 1352217-40-3

1-(3-Chloro-5-fluorophenyl)-1-heptanone

Description:

1-(3-Chloro-5-fluorophenyl)-1-heptanone is an organic compound characterized by its ketone functional group and a substituted aromatic ring. The presence of a heptanone structure indicates that it has a seven-carbon chain attached to the carbonyl group, which contributes to its hydrophobic properties. The aromatic ring features both a chlorine and a fluorine atom, which can influence the compound's reactivity, polarity, and overall biological activity. The chlorine atom typically enhances lipophilicity, while the fluorine atom can impart unique electronic properties, potentially affecting the compound's interaction with biological targets. This compound may be of interest in medicinal chemistry and material science due to its potential applications in drug development or as an intermediate in synthetic pathways. Its specific physical properties, such as boiling point, melting point, and solubility, would depend on the molecular interactions and the overall structure, which can be further explored through experimental data or computational modeling.

Formula: C₁₃H₁₆ClFO

InChI: InChI=1S/C13H16ClFO/c1-2-3-4-5-6-13(16)10-7-11(14)9-12(15)8-10/h7-9H,2-6H2,1H3

InChI key: InChIKey=SEZXBQWGNGAQOR-UHFFFAOYSA-N

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

Synonyms:

• 1-Heptanone, 1-(3-chloro-5-fluorophenyl)-
• 1-(3-Chloro-5-fluorophenyl)-1-heptanone