CAS 1261268-98-7

5-[4-Fluoro-3-(trifluoromethyl)phenyl]-2H-tetrazole

Description:

5-[4-Fluoro-3-(trifluoromethyl)phenyl]-2H-tetrazole is a chemical compound characterized by its tetrazole ring, which is a five-membered heterocyclic structure containing four nitrogen atoms and one carbon atom. This compound features a phenyl group substituted with a fluorine atom and a trifluoromethyl group, contributing to its unique properties. The presence of these fluorinated groups often enhances the compound's lipophilicity and stability, making it of interest in various applications, including pharmaceuticals and agrochemicals. The tetrazole moiety is known for its ability to form strong hydrogen bonds and can participate in various chemical reactions, such as nucleophilic substitutions. Additionally, the compound may exhibit interesting biological activities, which can be explored in drug development. Its molecular structure suggests potential uses in medicinal chemistry, particularly in the design of compounds with specific biological targets. As with many fluorinated compounds, it may also exhibit distinct physical and chemical properties, such as altered solubility and reactivity compared to non-fluorinated analogs.

Formula: C₈H₄F₄N₄

InChI: InChI=1S/C8H4F4N4/c9-6-2-1-4(7-13-15-16-14-7)3-5(6)8(10,11)12/h1-3H,(H,13,14,15,16)

InChI key: InChIKey=DJAVSIDVPRVJEA-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C=1C=C(C=CC1F)C=2NN=NN2

Synonyms:

• 2H-Tetrazole, 5-[4-fluoro-3-(trifluoromethyl)phenyl]-
• 5-[4-Fluoro-3-(trifluoromethyl)phenyl]-2H-tetrazole

2H-Tetrazole, 5-[4-fluoro-3-(trifluoromethyl)phenyl]-

CAS: 1261268-98-7

Formula: C₈H₄F₄N₄

Molecular weight: 232.1378

Ref: IN-DA000RQ4