CAS 898762-05-5

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

Description:

Methanone, specifically the compound with the name "[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)phenyl][3-(trifluoromethyl)phenyl]-" and CAS number 898762-05-5, is a complex organic molecule characterized by its unique structural features. It contains a methanone functional group, which is indicative of a ketone, and is further substituted with a phenyl group that has a trifluoromethyl substituent, enhancing its electronic properties and potentially its reactivity. The presence of a spirocyclic structure, specifically the 1,4-dioxa-8-azaspiro moiety, suggests interesting steric and electronic interactions, which may influence its biological activity and solubility. This compound may exhibit significant pharmacological properties due to its structural complexity, making it a candidate for further research in medicinal chemistry. Additionally, the trifluoromethyl group is known to increase lipophilicity, which can affect the compound's distribution and metabolism in biological systems. Overall, this compound's unique characteristics make it a subject of interest in various fields, including drug development and materials science.

Formula: C₂₂H₂₂F₃NO₃

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

InChI key: InChIKey=OVENPWYKKICDCO-UHFFFAOYSA-N

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

Synonyms:

• [3-(1,4-Dioxa-8-azaspiro[4.5]dec-8-ylmethyl)phenyl][3-(trifluoromethyl)phenyl]methanone
• Methanone, [3-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)phenyl][3-(trifluoromethyl)phenyl]-
• (3-((1,4-Dioxa-8-azaspiro[4.5]Decan-8-yl)methyl)phenyl)(3-(trifluoromethyl)phenyl)methanone
• 3-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-3'-TRIFLUOROBENZOPHENONE