CAS 1221725-45-6

4-(Trifluoromethyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid

Description:

4-(Trifluoromethyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid is a bicyclic compound characterized by its unique structural features, including a trifluoromethyl group and a carboxylic acid functional group. The presence of the trifluoromethyl group significantly influences its chemical properties, enhancing lipophilicity and potentially affecting its reactivity and biological activity. The bicyclic structure contributes to the rigidity of the molecule, which can impact its conformational dynamics and interactions with biological targets. As an azabicyclic compound, it contains a nitrogen atom within the ring system, which can participate in hydrogen bonding and influence the compound's solubility and stability. The carboxylic acid group provides acidic properties, allowing for potential ionization in solution, which can affect its pharmacokinetics and interactions in biological systems. Overall, this compound's unique combination of functional groups and structural characteristics makes it of interest in medicinal chemistry and material science, where it may serve as a building block or lead compound for further development.

Formula: C₇H₈F₃NO₂

InChI: InChI=1S/C7H8F3NO2/c8-7(9,10)5-1-6(2-5,4(12)13)11-3-5/h11H,1-3H2,(H,12,13)

InChI key: InChIKey=XRVRWZGQQKRCEH-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C12CC(C(O)=O)(C1)NC2

Synonyms:

• 4-(Trifluoromethyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid
• 2-Azabicyclo[2.1.1]hexane-1-carboxylic acid, 4-(trifluoromethyl)-