2-methyl-4-[2,2,2-tris(fluoranyl)ethyl]-1,2,4-triazol-3-one

Systemtic Name: 2-methyl-4-[2,2,2-tris(fluoranyl)ethyl]-1,2,4-triazol-3-one Openeye Name: 2-methyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-one CAS Name: 2-methyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-one IUPAC Name: 2-methyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-one Traditional Name: 2-methyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-one Formula: C5H6F3N3O MolecularWeight: 181.11585

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)N(C=N1)CC(F)(F)F

Isomeric SMILES

CN1C(=O)N(C=N1)CC(F)(F)F

InChI

InChI=1S/C5H6F3N3O/c1-10-4(12)11(3-9-10)2-5(6,7)8/h3H,2H2,1H3