CAS 1308384-47-5

3-(Trifluoromethyl)-1,2,4-oxadiazole-5-acetonitrile

Description:

3-(Trifluoromethyl)-1,2,4-oxadiazole-5-acetonitrile is a heterocyclic compound characterized by the presence of an oxadiazole ring, which is a five-membered ring containing two nitrogen atoms and three carbon atoms, along with a trifluoromethyl group and an acetonitrile substituent. The trifluoromethyl group (-CF3) is known for its electron-withdrawing properties, which can significantly influence the compound's reactivity and stability. This compound is typically colorless to pale yellow and may exhibit moderate to high solubility in polar organic solvents. Its unique structure makes it of interest in various fields, including pharmaceuticals and agrochemicals, due to potential applications in drug design and development. The presence of the acetonitrile group contributes to its polar character, which can affect its interactions with biological targets. Additionally, the compound may exhibit interesting electronic properties due to the combination of the oxadiazole and trifluoromethyl functionalities, making it a subject of study in materials science and organic synthesis.

Formula: C₅H₂F₃N₃O

InChI: InChI=1S/C5H2F3N3O/c6-5(7,8)4-10-3(1-2-9)12-11-4/h1H2

InChI key: InChIKey=ADAQPZDKCORKTL-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C=1N=C(CC#N)ON1

Synonyms:

• 2-[3-(Trifluoromethyl)-1,2,4-oxadiazol-5-yl]acetonitrile
• (3-Trifluoromethyl-[1,2,4]oxadiazol-5-yl)-acetonitrile
• 1,2,4-Oxadiazole-5-acetonitrile, 3-(trifluoromethyl)-
• 3-(Trifluoromethyl)-1,2,4-oxadiazole-5-acetonitrile