CAS 116143-28-3

1-(3,8-Diazabicyclo[3.2.1]oct-8-yl)-2,2,2-trifluoroethanone

Description:

1-(3,8-Diazabicyclo[3.2.1]oct-8-yl)-2,2,2-trifluoroethanone, with CAS number 116143-28-3, is a chemical compound characterized by its unique bicyclic structure and the presence of a trifluoroethanone functional group. The bicyclic framework, derived from diazabicyclo[3.2.1]octane, contributes to its rigidity and potential for specific interactions in biological systems. The trifluoroethanone moiety enhances its electrophilic character, making it a useful intermediate in organic synthesis and medicinal chemistry. This compound may exhibit significant reactivity due to the electron-withdrawing nature of the trifluoromethyl group, which can influence its behavior in various chemical reactions. Additionally, the presence of nitrogen atoms in the bicyclic structure may impart basicity and potential coordination properties with metal ions. Overall, this compound's distinctive structural features and functional groups suggest potential applications in pharmaceuticals and agrochemicals, although specific biological activities and safety profiles would require further investigation.

Formula: C₈H₁₁F₃N₂O

InChI: InChI=1S/C8H11F3N2O/c9-8(10,11)7(14)13-5-1-2-6(13)4-12-3-5/h5-6,12H,1-4H2

InChI key: InChIKey=PXAZOFUOBLKJPZ-UHFFFAOYSA-N

SMILES: C(C(F)(F)F)(=O)N1C2CNCC1CC2

Synonyms:

• Ethanone, 1-(3,8-diazabicyclo[3.2.1]oct-8-yl)-2,2,2-trifluoro-
• 3,8-Diazabicyclo[3.2.1]octane, 8-(trifluoroacetyl)-
• 1-[3,8-Diazabicyclo[3.2.1]octan-8-yl]-2,2,2-trifluoroethan-1-one
• 1-(3,8-Diazabicyclo[3.2.1]oct-8-yl)-2,2,2-trifluoroethanone