23023211 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 16 9 9 9 8 8 8 7 7 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 5 -1 8 1 1 1 1 1 2 3 4 8 8 8 9 9 9 10 11 11 11 12 12 12 13 13 14 15 15 15 16 16 16 5 6 7 17 17 17 17 10 11 13 10 12 14 18 15 19 20 16 21 22 14 23 24 25 26 27 28 29 30 1 2 2 1 1 1 1 2 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 5.8708 7.6028 7.2368 6.2368 5.0047 5.3708 6.3708 1.403 1.903 2.212 1.403 2.4907 0.5939 0.903 0.5369 2.084 6.7368 2.8016 1.615 2.0135 2.9214 3.0048 0.0043 0.5385 0.2269 0 0.8469 2.6504 1.8318 1.5176 2.6824 3.6824 2.3163 4.0484 2.1824 3.5484 1.8163 2.0369 3.5758 2.6247 1.0369 4.3848 2.6247 3.5758 0.5369 5.2983 3.1824 2.4331 0.4543 1.1446 3.9388 4.7315 2.4331 4.0774 1.0739 0.2269 0 5.5505 5.8647 5.0462 8 8 8 8 8 8 8 9 9 13 10 13 10 14 14 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 218 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0733180400000000000000000000000000160000000000000000000000000018000001D04000000000000C102142F90170C1002A0001027647000802D1112A00940001830008048000008001000000800028000200000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 1,3-diethylimidazol-1-ium;trifluoromethanesulfonate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 1,3-diethylimidazol-1-ium;trifluoromethanesulfonate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 1,3-diethylimidazol-1-ium;trifluoromethanesulfonate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 1,3-diethylimidazol-1-ium;trifluoromethanesulfonate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1,3-diethylimidazol-1-ium;tris(fluoranyl)methanesulfonate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1,3-diethylimidazol-1-ium;triflate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C7H13N2.CHF3O3S/c1-3-8-5-6-9(4-2)7-8;2-1(3,4)8(5,6)7/h5-7H,3-4H2,1-2H3;(H,5,6,7)/q+1;/p-1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 FZMGVRNPQDFKSD-UHFFFAOYSA-M Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 274.05989794 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C8H13F3N2O3S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 274.26 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCN1C=C[N+](=C1)CC.C(F)(F)(F)S(=O)(=O)[O-] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCN1C=C[N+](=C1)CC.C(F)(F)(F)S(=O)(=O)[O-] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 74.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 274.05989794 17 0 0 0 0 0 0 0 2 -1