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CAS 1221725-30-9

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2,2,2-Trifluoroethyl N-[3-(6,7-dihydro-5H-pyrrolo[2,1-c]-1,2,4-triazol-3-yl)phenyl]carbamate

Description:
2,2,2-Trifluoroethyl N-[3-(6,7-dihydro-5H-pyrrolo[2,1-c]-1,2,4-triazol-3-yl)phenyl]carbamate is a chemical compound characterized by its complex structure, which includes a trifluoroethyl group and a carbamate moiety. The presence of the trifluoroethyl group imparts unique properties such as increased lipophilicity and potential bioactivity, making it of interest in pharmaceutical applications. The compound features a pyrrolo-triazole structure, which is known for its biological activity, particularly in the development of agrochemicals and pharmaceuticals. Its molecular structure suggests potential interactions with biological targets, possibly influencing enzyme activity or receptor binding. The compound's solubility, stability, and reactivity can vary based on environmental conditions, such as pH and temperature. As with many fluorinated compounds, it may exhibit enhanced metabolic stability and altered pharmacokinetics. Safety and handling considerations are essential, given the potential toxicity associated with fluorinated organic compounds. Overall, this compound represents a significant area of interest in medicinal chemistry and agrochemical research.
Formula:C14H13F3N4O2
InChI:InChI=1S/C14H13F3N4O2/c15-14(16,17)8-23-13(22)18-10-4-1-3-9(7-10)12-20-19-11-5-2-6-21(11)12/h1,3-4,7H,2,5-6,8H2,(H,18,22)
InChI key:InChIKey=OEHDTJUFJSZOEJ-UHFFFAOYSA-N
SMILES:N(C(OCC(F)(F)F)=O)C=1C=C(C=2N3C(=NN2)CCC3)C=CC1
Synonyms:
  • 2,2,2-Trifluoroethyl N-[3-(6,7-dihydro-5H-pyrrolo[2,1-c]-1,2,4-triazol-3-yl)phenyl]carbamate
  • Carbamic acid, N-[3-(6,7-dihydro-5H-pyrrolo[2,1-c]-1,2,4-triazol-3-yl)phenyl]-, 2,2,2-trifluoroethyl ester
  • 2,2,2-Trifluoroethyl N-[3-(6,7-dihydro-5H-pyrrolo[1,2-d][1,2,4]triazol-3-yl)phenyl]carbamate
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