57483616 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 9 9 9 8 8 8 7 7 6 6 6 6 6 6 6 1 1 1 1 1 1 1 12 1 1 1 1 1 2 3 4 5 6 7 8 11 11 11 12 12 12 14 14 14 15 15 16 18 18 18 8 9 10 19 17 17 17 19 19 19 13 13 14 15 13 16 18 17 20 21 16 22 23 24 25 26 1 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 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 5.7 2 3.366 2.366 6.1159 6.8861 4.9298 5.4921 6.6782 4.7219 3.732 4.232 4.5411 3.732 2.923 3.232 2.866 4.8198 5.9079 3.9441 4.3426 2.3334 2.8676 5.3214 5.1843 4.3182 -0.5455 -1.8461 -2.2121 -0.4801 -2.5018 -1.3157 -1.7315 0.4327 -0.3376 -0.7534 0.1539 1.6928 0.7417 -0.8461 0.7417 1.6928 -1.3461 2.5018 -1.5236 -1.4287 -0.7384 0.5501 2.1943 2.1373 3.0034 2.8662 8 8 8 8 8 11 11 12 12 15 13 15 13 16 16 1 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 414 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 9 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 00000371806331C0400000000000000000000000000160000000000000000000000000018000001F04000000000000C102142F90170C1002A0001027647000802D1112A00940001830008048000008001000000800028000200000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 [1-methyl-3-(2,2,2-trifluoroethyl)imidazol-1-ium-2-yl] trifluoromethanesulfonate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 trifluoromethanesulfonic acid [1-methyl-3-(2,2,2-trifluoroethyl)-2-imidazol-1-iumyl] ester IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 [1-methyl-3-(2,2,2-trifluoroethyl)imidazol-1-ium-2-yl] trifluoromethanesulfonate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 [1-methyl-3-(2,2,2-trifluoroethyl)imidazol-1-ium-2-yl] trifluoromethanesulfonate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 [1-methyl-3-[2,2,2-tris(fluoranyl)ethyl]imidazol-1-ium-2-yl] tris(fluoranyl)methanesulfonate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 trifluoromethanesulfonic acid [1-methyl-3-(2,2,2-trifluoroethyl)imidazol-1-ium-2-yl] ester InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C7H7F6N2O3S/c1-14-2-3-15(4-6(8,9)10)5(14)18-19(16,17)7(11,12)13/h2-3H,4H2,1H3/q+1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 SAJXQCSUVMUVNP-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 313.00815724 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C7H7F6N2O3S+ Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 313.20 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C[N+]1=C(N(C=C1)CC(F)(F)F)OS(=O)(=O)C(F)(F)F SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C[N+]1=C(N(C=C1)CC(F)(F)F)OS(=O)(=O)C(F)(F)F 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 2021.05.07 313.00815724 19 0 0 0 0 0 0 0 1 -1