4-(2-azanylethyl)-2-[2,2,2-tris(fluoranyl)ethyl]-1H-pyrazol-3-one

Systemtic Name: 4-(2-azanylethyl)-2-[2,2,2-tris(fluoranyl)ethyl]-1H-pyrazol-3-one Openeye Name: 4-(2-aminoethyl)-2-(2,2,2-trifluoroethyl)-1H-pyrazol-3-one CAS Name: 4-(2-aminoethyl)-2-(2,2,2-trifluoroethyl)-1H-pyrazol-3-one IUPAC Name: 4-(2-aminoethyl)-2-(2,2,2-trifluoroethyl)-1H-pyrazol-3-one Traditional Name: 4-(2-aminoethyl)-2-(2,2,2-trifluoroethyl)-3-pyrazolin-3-one Formula: C7H10F3N3O MolecularWeight: 209.16901

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=O)N(N1)CC(F)(F)F)CCN

Isomeric SMILES

C1=C(C(=O)N(N1)CC(F)(F)F)CCN

InChI

InChI=1S/C7H10F3N3O/c8-7(9,10)4-13-6(14)5(1-2-11)3-12-13/h3,12H,1-2,4,11H2