CAS 1212823-78-3

rel-(1R,3R,5R,6R)-6-(Trifluoromethyl)-2-azabicyclo[3.1.0]hexane-3-carboxylic acid

Description:

The chemical substance known as rel-(1R,3R,5R,6R)-6-(Trifluoromethyl)-2-azabicyclo[3.1.0]hexane-3-carboxylic acid, with the CAS number 1212823-78-3, is characterized by its bicyclic structure, which includes a nitrogen atom within a six-membered ring. This compound features a trifluoromethyl group, which significantly influences its chemical properties, including increased lipophilicity and potential biological activity. The presence of the carboxylic acid functional group contributes to its acidity and reactivity, making it a candidate for various chemical reactions and applications in medicinal chemistry. The stereochemistry indicated by the rel- and R designations suggests specific spatial arrangements of the atoms, which can affect the compound's interactions with biological targets. Overall, this compound may exhibit interesting pharmacological properties, making it of interest in drug discovery and development. Its unique structural features and functional groups position it as a potentially valuable compound in various chemical and pharmaceutical contexts.

Formula: C₇H₈F₃NO₂

InChI: InChI=1/C7H8F3NO2/c8-7(9,10)4-2-1-3(6(12)13)11-5(2)4/h2-5,11H,1H2,(H,12,13)/t2-,3-,4-,5-/s2

InChI key: InChIKey=AUALRSWGZMNLIB-VVLSSCEONA-N

SMILES: C(F)(F)(F)[C@H]1[C@]2([C@@]1(N[C@H](C(O)=O)C2)[H])[H]

Synonyms:

• rel-(1R,3R,5R,6R)-6-(Trifluoromethyl)-2-azabicyclo[3.1.0]hexane-3-carboxylic acid
• 2-Azabicyclo[3.1.0]hexane-3-carboxylic acid, 6-(trifluoromethyl)-, (1R,3R,5R,6R)-rel-