CAS 114446-51-4

1-[(1S)-3-Chloro-1-phenylpropoxy]-4-(trifluoromethyl)benzene

Description:

1-[(1S)-3-Chloro-1-phenylpropoxy]-4-(trifluoromethyl)benzene, with the CAS number 114446-51-4, is a chemical compound characterized by its complex structure, which includes a phenylpropoxy group and a trifluoromethyl substituent. This compound features a chiral center, indicated by the (1S) configuration, which can influence its biological activity and interactions. The presence of the chloro group contributes to its reactivity and potential applications in various chemical reactions. The trifluoromethyl group is known for enhancing lipophilicity and metabolic stability, making the compound of interest in medicinal chemistry and agrochemical research. Its molecular structure suggests potential uses in pharmaceuticals, particularly in the development of compounds with specific biological activities. Additionally, the compound's physical properties, such as solubility and boiling point, would be influenced by the functional groups present, which can affect its behavior in different environments. Overall, this compound exemplifies the intricate relationship between molecular structure and chemical properties, making it a subject of interest in various fields of research.

Formula: C₁₆H₁₄ClF₃O

InChI: InChI=1S/C16H14ClF3O/c17-11-10-15(12-4-2-1-3-5-12)21-14-8-6-13(7-9-14)16(18,19)20/h1-9,15H,10-11H2/t15-/m0/s1

InChI key: InChIKey=VOPIMWRKIKTDPS-HNNXBMFYSA-N

SMILES: [C@H](OC1=CC=C(C(F)(F)F)C=C1)(CCCl)C2=CC=CC=C2

Synonyms:

• (S)-1-Chloro-3-[(4-trifluoromethylphenyl)oxy]-3-phenylpropane
• 1-[(1S)-3-Chloro-1-phenylpropoxy]-4-(trifluoromethyl)benzene
• Benzene, 1-(3-chloro-1-phenylpropoxy)-4-(trifluoromethyl)-, (S)-
• Benzene, 1-[(1S)-3-chloro-1-phenylpropoxy]-4-(trifluoromethyl)-

Desamino Chloro (S)-Fluoxetine

Controlled Product

CAS: 114446-51-4

Applications Fluoxetine (F597100) derivative.
References Cashman, J. et al.: Bioorgan Med. Chem. 17, 337 (2009)

Formula: C₁₆H₁₄ClF₃O

Color and Shape: Neat

Molecular weight: 314.73

Ref: TR-D288960