ethanedioic acid; 3,3,3-tris(fluoranyl)-2-(1-methylpyrrol-2-yl)propan-1-amine

Systemtic Name: ethanedioic acid; 3,3,3-tris(fluoranyl)-2-(1-methylpyrrol-2-yl)propan-1-amine Openeye Name: oxalic acid; 3,3,3-trifluoro-2-(1-methylpyrrol-2-yl)propan-1-amine CAS Name: oxalic acid; 3,3,3-trifluoro-2-(1-methyl-2-pyrrolyl)-1-propanamine IUPAC Name: oxalic acid; 3,3,3-trifluoro-2-(1-methylpyrrol-2-yl)propan-1-amine Traditional Name: oxalic acid; [3,3,3-trifluoro-2-(1-methylpyrrol-2-yl)propyl]amine Formula: C10H13F3N2O4 MolecularWeight: 282.21643

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(CN)C(F)(F)F.C(=O)(C(=O)O)O

Isomeric SMILES

CN1C=CC=C1C(CN)C(F)(F)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C8H11F3N2.C2H2O4/c1-13-4-2-3-7(13)6(5-12)8(9,10)11;3-1(4)2(5)6/h2-4,6H,5,12H2,1H3;(H,3,4)(H,5,6)