4-[2,2,2-tris(fluoranyl)ethyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 4-[2,2,2-tris(fluoranyl)ethyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-one CAS Name: 4-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 4-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-one Traditional Name: 4-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-one Formula: C4H4F3N3O MolecularWeight: 167.08927

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Descriptors Computed from Structure

Canonical SMILES:

C1=NNC(=O)N1CC(F)(F)F

Isomeric SMILES

C1=NNC(=O)N1CC(F)(F)F

InChI

InChI=1S/C4H4F3N3O/c5-4(6,7)1-10-2-8-9-3(10)11/h2H,1H2,(H,9,11)