CAS 749930-45-8

1-(4-Bromo-2-fluorophenyl)cyclopentanecarbonitrile

Description:

1-(4-Bromo-2-fluorophenyl)cyclopentanecarbonitrile, with the CAS number 749930-45-8, is a chemical compound characterized by its unique structure that includes a cyclopentane ring and a cyano group attached to a phenyl ring substituted with bromine and fluorine atoms. This compound typically exhibits properties associated with both aromatic and aliphatic systems, such as moderate polarity and potential for hydrogen bonding due to the cyano group. The presence of halogen substituents (bromine and fluorine) can influence its reactivity, stability, and solubility in various solvents. Additionally, the compound may display interesting biological activity, making it of interest in pharmaceutical research. Its synthesis and characterization would involve standard organic chemistry techniques, and it may be analyzed using methods such as NMR spectroscopy, mass spectrometry, and infrared spectroscopy to confirm its structure and purity. Overall, this compound represents a valuable entity in the field of organic chemistry and medicinal chemistry.

Formula: C₁₂H₁₁BrFN

InChI: InChI=1S/C12H11BrFN/c13-9-3-4-10(11(14)7-9)12(8-15)5-1-2-6-12/h3-4,7H,1-2,5-6H2

InChI key: InChIKey=NTVAAFIXXWDVTK-UHFFFAOYSA-N

SMILES: C(#N)C1(CCCC1)C2=C(F)C=C(Br)C=C2

Synonyms:

• 1-(4-Bromo-2-fluorophenyl)cyclopentane-1-carbonitrile
• 1-(4-Bromo-2-fluorophenyl)cyclopentanecarbonitrile
• Cyclopentanecarbonitrile, 1-(4-bromo-2-fluorophenyl)-