57483582 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 16 9 9 9 8 8 8 7 7 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 9 1 1 1 1 1 2 3 4 5 8 8 8 9 9 9 11 11 11 12 12 13 14 14 14 15 15 15 5 6 7 16 16 16 16 10 10 11 12 10 13 14 15 17 18 13 19 20 21 22 23 24 25 26 1 2 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 4.834 5.2498 6.0201 4.0638 4.6261 5.8122 3.8559 2.866 3.366 3.675 2.866 2.057 2.366 3.9538 2 5.0419 3.0781 3.4766 1.4674 2.0016 4.4554 4.3182 3.4522 1.69 1.4631 2.31 -0.5455 -2.5018 -1.3157 -1.7315 0.4327 -0.3376 -0.7534 0.1539 1.6928 0.7417 -0.8461 0.7417 1.6928 2.5018 -1.3461 -1.5236 -1.4287 -0.7384 0.5501 2.1943 2.1373 3.0034 2.8662 -0.8092 -1.6561 -1.883 8 8 8 8 8 8 8 9 9 12 10 12 10 13 13 1 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 338 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0633180400000000000000000000000000160000000000000000000000000018000001F04000000000000C102142F90170C1002A0001027647000802D1112A00940001830008048000008001000000800028000200000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (1-ethyl-3-methyl-imidazol-3-ium-2-yl) trifluoromethanesulfonate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 trifluoromethanesulfonic acid (1-ethyl-3-methyl-2-imidazol-3-iumyl) ester IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (1-ethyl-3-methylimidazol-3-ium-2-yl) trifluoromethanesulfonate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (1-ethyl-3-methylimidazol-3-ium-2-yl) trifluoromethanesulfonate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (1-ethyl-3-methyl-imidazol-3-ium-2-yl) tris(fluoranyl)methanesulfonate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 trifluoromethanesulfonic acid (1-ethyl-3-methyl-imidazol-3-ium-2-yl) ester InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C7H10F3N2O3S/c1-3-12-5-4-11(2)6(12)15-16(13,14)7(8,9)10/h4-5H,3H2,1-2H3/q+1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ZTKKHILOCTWEFZ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 259.03642285 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C7H10F3N2O3S+ Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 259.23 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCN1C=C[N+](=C1OS(=O)(=O)C(F)(F)F)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCN1C=C[N+](=C1OS(=O)(=O)C(F)(F)F)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 60.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 259.03642285 16 0 0 0 0 0 0 0 1 -1