57475900 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 16 9 9 9 9 9 9 9 9 9 8 8 8 7 7 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 15 1 1 1 1 1 2 3 4 5 6 7 8 9 10 11 14 14 14 15 15 15 16 17 18 21 21 21 22 22 23 24 24 24 25 25 25 11 12 13 16 16 16 17 17 18 18 20 20 20 19 19 21 22 19 23 24 17 18 20 25 26 27 23 28 29 30 31 32 33 34 35 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 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 4.834 6.0201 4.0638 6.228 4.2717 6.4359 4.4796 5.8736 6.6438 4.6875 4.6261 5.8122 3.8559 2.866 3.366 5.0419 5.2498 5.4578 3.675 5.6657 2.866 2.057 2.366 3.9538 2 3.0781 3.4766 1.4674 2.0016 4.4554 4.3182 3.4522 1.69 1.4631 2.31 0.9218 0.1515 -0.2643 -0.8266 -1.2425 -1.8048 -2.2206 -3.969 -2.7829 -3.1988 1.8999 1.1297 0.7138 1.6211 3.16 -0.0564 -1.0346 -2.0127 2.2089 -2.9908 0.6211 2.2089 3.16 3.969 0.1211 0.0385 0.7288 2.0173 3.6616 3.6046 4.4706 4.3334 0.6581 -0.1889 -0.4158 8 8 8 8 8 14 14 15 15 22 19 22 19 23 23 1 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 587 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 12 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07331C0400000000000000000000000000160000000000000000000000000018000001F04000000000800C142142F90170C1002A0001027647040802D1112A00940001830008048000008001000000800028000200000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (1-ethyl-3-methyl-imidazol-3-ium-2-yl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 1,1,2,2,3,3,4,4,4-nonafluoro-1-butanesulfonic acid IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (1-ethyl-3-methylimidazol-3-ium-2-yl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (1-ethyl-3-methylimidazol-3-ium-2-yl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (1-ethyl-3-methyl-imidazol-3-ium-2-yl) 1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic 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/C10H10F9N2O3S/c1-3-21-5-4-20(2)6(21)24-25(22,23)10(18,19)8(13,14)7(11,12)9(15,16)17/h4-5H,3H2,1-2H3/q+1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 UUNQYGBFFGOECC-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 2021.05.07 409.02684182 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C10H10F9N2O3S+ Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 409.25 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCN1C=C[N+](=C1OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCN1C=C[N+](=C1OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)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 2021.05.07 409.02684182 25 0 0 0 0 0 0 0 1 -1