CAS 1213976-88-5

(βR)-β-Amino-4-bromo-2-fluorobenzenepropanenitrile

Description:

(βR)-β-Amino-4-bromo-2-fluorobenzenepropanenitrile is a chemical compound characterized by its specific structural features, including a benzene ring substituted with bromine and fluorine atoms, as well as an amino group and a nitrile functional group. The presence of the β-amino group indicates that the amino group is attached to the β-carbon of the propanenitrile chain, which contributes to its potential biological activity. The compound's chirality, denoted by the (βR) designation, suggests that it exists as a specific enantiomer, which can influence its reactivity and interactions in biological systems. The bromine and fluorine substituents can enhance the compound's lipophilicity and may affect its pharmacokinetic properties. Overall, this compound may be of interest in medicinal chemistry and drug development due to its unique functional groups and stereochemistry, which can play a crucial role in its biological activity and therapeutic potential.

Formula: C₉H₈BrFN₂

InChI: InChI=1S/C9H8BrFN2/c10-6-1-2-7(8(11)5-6)9(13)3-4-12/h1-2,5,9H,3,13H2/t9-/m1/s1

InChI key: InChIKey=IVEBFYBPPSKGDK-SECBINFHSA-N

SMILES: [C@H](CC#N)(N)C1=C(F)C=C(Br)C=C1

Synonyms:

• Benzenepropanenitrile, β-amino-4-bromo-2-fluoro-, (βR)-
• (βR)-β-Amino-4-bromo-2-fluorobenzenepropanenitrile