57483583 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 27 28 29 30 31 32 33 34 35 36 37 38 16 9 9 9 8 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 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 10 10 10 10 11 11 12 12 12 13 13 13 15 15 15 16 16 17 18 18 18 19 19 19 5 6 7 20 20 20 20 14 11 14 16 14 17 19 11 12 21 22 23 24 13 25 26 15 27 28 18 29 30 17 31 32 33 34 35 36 37 38 1 2 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 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 27 28 29 30 31 32 33 34 35 36 37 38 6.5661 6.9819 7.7521 5.7958 6.3582 7.5442 5.5879 4.5981 5.0981 3.732 4.5981 3.732 2.866 5.4071 2.866 3.7891 4.0981 2 5.6859 6.774 3.52 3.1215 4.8101 5.2087 3.9441 4.3426 2.654 2.2554 3.0781 3.4766 3.1994 3.7336 1.69 1.4631 2.31 6.1874 6.0503 5.1843 0.3767 -1.5796 -0.3935 -0.8094 1.3548 0.5846 0.1688 1.0761 2.6149 -0.4239 0.0761 -1.4239 -1.9239 1.6639 -2.9239 1.6639 2.6149 -3.4239 3.4239 -0.6015 0.1587 -0.5316 -0.5065 0.1837 -2.0065 -1.3163 -1.3413 -2.0316 -3.5065 -2.8163 1.4723 3.1165 -2.887 -3.7339 -3.9609 3.0595 3.9255 3.7884 8 8 8 8 8 8 8 9 9 16 14 16 14 17 17 1 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 395 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 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E0733180400000000000000000000000000160000000000000000000000000018000001F04000000000800C102142F90170C1002A0001027647000802D1112A00940001830008048020088001400000800028000211000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (1-hexyl-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-hexyl-3-methyl-2-imidazol-3-iumyl) ester IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (1-hexyl-3-methylimidazol-3-ium-2-yl) trifluoromethanesulfonate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (1-hexyl-3-methylimidazol-3-ium-2-yl) trifluoromethanesulfonate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (1-hexyl-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-hexyl-3-methyl-imidazol-3-ium-2-yl) ester InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C11H18F3N2O3S/c1-3-4-5-6-7-16-9-8-15(2)10(16)19-20(17,18)11(12,13)14/h8-9H,3-7H2,1-2H3/q+1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 RSOJHFHDYVUYOQ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 315.09902310 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C11H18F3N2O3S+ Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 315.33 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCCN1C=C[N+](=C1OS(=O)(=O)C(F)(F)F)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCCN1C=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 2021.05.07 315.09902310 20 0 0 0 0 0 0 0 1 -1