ethanedioic acid; 1-[5-fluoranyl-3-(trifluoromethyl)-1-benzofuran-7-yl]propan-2-amine

Systemtic Name: ethanedioic acid; 1-[5-fluoranyl-3-(trifluoromethyl)-1-benzofuran-7-yl]propan-2-amine Openeye Name: 1-[5-fluoro-3-(trifluoromethyl)benzofuran-7-yl]propan-2-amine; oxalic acid CAS Name: 1-[5-fluoro-3-(trifluoromethyl)-7-benzofuranyl]-2-propanamine; oxalic acid IUPAC Name: 1-[5-fluoro-3-(trifluoromethyl)-1-benzofuran-7-yl]propan-2-amine; oxalic acid Traditional Name: [2-[5-fluoro-3-(trifluoromethyl)benzofuran-7-yl]-1-methyl-ethyl]amine; oxalic acid Formula: C14H13F4NO5 MolecularWeight: 351.250333

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C2C(=CC(=C1)F)C(=CO2)C(F)(F)F)N.C(=O)(C(=O)O)O

Isomeric SMILES

CC(CC1=C2C(=CC(=C1)F)C(=CO2)C(F)(F)F)N.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H11F4NO.C2H2O4/c1-6(17)2-7-3-8(13)4-9-10(12(14,15)16)5-18-11(7)9;3-1(4)2(5)6/h3-6H,2,17H2,1H3;(H,3,4)(H,5,6)