CAS 898751-00-3

3-(3-Chloro-5-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]-1-propanone

Description:

3-(3-Chloro-5-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]-1-propanone, with the CAS number 898751-00-3, is a synthetic organic compound characterized by its complex structure featuring multiple aromatic rings and halogen substituents. This compound typically exhibits a high degree of lipophilicity due to the presence of fluorine and chlorine atoms, which can influence its solubility and reactivity. It is likely to be a solid at room temperature, given its molecular structure, and may have applications in medicinal chemistry, particularly in the development of pharmaceuticals or agrochemicals. The presence of trifluoromethyl and chloro groups can enhance biological activity and modulate interactions with biological targets. Additionally, the compound may exhibit unique spectral properties, making it suitable for characterization using techniques such as NMR and mass spectrometry. Safety and handling precautions should be observed due to the potential toxicity associated with halogenated compounds. Overall, this compound represents a class of molecules that are of interest in various fields of chemical research.

Formula: C₁₆H₁₁ClF₄O

InChI: InChI=1S/C16H11ClF4O/c17-13-6-10(7-14(18)9-13)4-5-15(22)11-2-1-3-12(8-11)16(19,20)21/h1-3,6-9H,4-5H2

InChI key: InChIKey=YWQOEOYSZYZMTE-UHFFFAOYSA-N

SMILES: C(CCC1=CC(Cl)=CC(F)=C1)(=O)C2=CC(C(F)(F)F)=CC=C2

Synonyms:

• 3-(3-Chloro-5-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]-1-propanone
• 3-(3-Chloro-5-fluorophenyl)-3′-trifluoromethylpropiophenone
• 1-Propanone, 3-(3-chloro-5-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]-