ethanedioic acid; 3,3,3-tris(fluoranyl)-N2-methyl-N2-phenyl-propane-1,2-diamine

Systemtic Name: ethanedioic acid; 3,3,3-tris(fluoranyl)-N2-methyl-N2-phenyl-propane-1,2-diamine Openeye Name: oxalic acid; 3,3,3-trifluoro-N2-methyl-N2-phenyl-propane-1,2-diamine CAS Name: oxalic acid; 3,3,3-trifluoro-N2-methyl-N2-phenylpropane-1,2-diamine IUPAC Name: oxalic acid; 3,3,3-trifluoro-2-N-methyl-2-N-phenylpropane-1,2-diamine Traditional Name: [1-(aminomethyl)-2,2,2-trifluoro-ethyl]-methyl-phenyl-amine; oxalic acid Formula: C12H15F3N2O4 MolecularWeight: 308.25371

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(CN)C(F)(F)F.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C1=CC=CC=C1)C(CN)C(F)(F)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C10H13F3N2.C2H2O4/c1-15(8-5-3-2-4-6-8)9(7-14)10(11,12)13;3-1(4)2(5)6/h2-6,9H,7,14H2,1H3;(H,3,4)(H,5,6)