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CAS 133116-83-3

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2-Fluoro-6-(trifluoromethyl)benzonitrile

Description:
2-Fluoro-6-(trifluoromethyl)benzonitrile is an aromatic compound characterized by the presence of a fluorine atom and a trifluoromethyl group attached to a benzene ring, along with a nitrile functional group. Its molecular structure features a benzene ring substituted at the 2-position with a fluorine atom and at the 6-position with a trifluoromethyl group (–CF3), while the nitrile group (–C≡N) is typically located at the 1-position. This compound is known for its high lipophilicity and potential applications in pharmaceuticals and agrochemicals due to the presence of the trifluoromethyl group, which can enhance biological activity and metabolic stability. The nitrile group contributes to its reactivity and can participate in various chemical reactions, making it a versatile intermediate in organic synthesis. Additionally, the presence of fluorine atoms often imparts unique electronic properties, influencing the compound's behavior in chemical reactions and interactions with biological systems. Overall, 2-Fluoro-6-(trifluoromethyl)benzonitrile is a significant compound in the field of medicinal chemistry and materials science.
Formula:C8H3F4N
InChI:InChI=1/C8H3F4N/c9-7-3-1-2-6(5(7)4-13)8(10,11)12/h1-3H
SMILES:c1cc(c(C#N)c(c1)F)C(F)(F)F
Synonyms:
  • 2-Cyano-3-fluorobenzotrifluoride
  • alpha,alpha,alpha,6-Tetrafluoro-o-tolunitrile
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