CAS 898761-42-7

6-Chloro-1-[2-(trifluoromethoxy)phenyl]-1-hexanone

Description:

6-Chloro-1-[2-(trifluoromethoxy)phenyl]-1-hexanone is an organic compound characterized by its unique molecular structure, which includes a hexanone backbone substituted with a chloro group and a trifluoromethoxy phenyl moiety. The presence of the chloro substituent enhances its reactivity, while the trifluoromethoxy group contributes to its lipophilicity and potential biological activity. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its trifluoromethoxy group can influence its electronic properties, making it of interest in medicinal chemistry and material science. The compound's structure suggests potential applications in pharmaceuticals, particularly in the development of new therapeutic agents. Additionally, the presence of fluorine atoms often imparts unique characteristics such as increased metabolic stability and altered pharmacokinetics. As with many halogenated compounds, safety and handling precautions are essential due to potential toxicity and environmental impact.

Formula: C₁₃H₁₄ClF₃O₂

InChI: InChI=1S/C13H14ClF3O2/c14-9-5-1-2-7-11(18)10-6-3-4-8-12(10)19-13(15,16)17/h3-4,6,8H,1-2,5,7,9H2

InChI key: InChIKey=OCTKIQXDUFIDAY-UHFFFAOYSA-N

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

Synonyms:

• 1-Hexanone, 6-chloro-1-[2-(trifluoromethoxy)phenyl]-
• 6-Chloro-1-[2-(trifluoromethoxy)phenyl]-1-hexanone