CAS 898762-03-3

[3-(1,4-Dioxa-8-azaspiro[4.5]dec-8-ylmethyl)phenyl][2-(trifluoromethyl)phenyl]methanone

Description:

The chemical substance with the name "[3-(1,4-Dioxa-8-azaspiro[4.5]dec-8-ylmethyl)phenyl][2-(trifluoromethyl)phenyl]methanone" and CAS number "898762-03-3" is characterized by its complex molecular structure, which includes a spirocyclic moiety and multiple aromatic rings. The presence of a trifluoromethyl group indicates potential for increased lipophilicity and biological activity, making it of interest in pharmaceutical applications. The dioxane and azaspiro components suggest that the compound may exhibit unique conformational properties and interactions, potentially influencing its reactivity and solubility. Additionally, the methanone functional group contributes to its reactivity, allowing for various chemical transformations. This compound may be studied for its potential therapeutic effects, particularly in areas such as medicinal chemistry, where the structural features can be optimized for specific biological targets. Overall, the intricate design of this molecule highlights the interplay between structure and function in chemical compounds, particularly in the context of drug development and material science.

Formula: C₂₂H₂₂F₃NO₃

InChI: InChI=1S/C22H22F3NO3/c23-22(24,25)19-7-2-1-6-18(19)20(27)17-5-3-4-16(14-17)15-26-10-8-21(9-11-26)28-12-13-29-21/h1-7,14H,8-13,15H2

InChI key: InChIKey=YKVSDIDSPHRJBV-UHFFFAOYSA-N

SMILES: C(N1CCC2(CC1)OCCO2)C3=CC(C(=O)C4=C(C(F)(F)F)C=CC=C4)=CC=C3

Synonyms:

• Methanone, [3-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)phenyl][2-(trifluoromethyl)phenyl]-
• [3-(1,4-Dioxa-8-azaspiro[4.5]dec-8-ylmethyl)phenyl][2-(trifluoromethyl)phenyl]methanone