16218769 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 39 40 41 42 43 44 45 46 9 9 9 9 9 9 9 9 9 9 9 9 9 7 7 6 6 6 6 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 15 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 14 14 15 15 15 16 16 17 18 18 18 19 20 20 21 22 23 24 24 24 25 25 26 27 27 27 29 29 29 30 30 30 17 17 16 16 19 19 21 21 22 22 28 28 28 20 23 25 23 24 26 17 18 19 20 31 32 21 33 34 22 28 35 27 36 37 26 38 39 29 40 41 30 42 43 44 45 46 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 1 1 1 1 1 1 1 1 2 1 1 1 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 39 40 41 42 43 44 45 46 4 2 2 4 2 4 2 4 2 4 3 2 4 3.866 4.366 3 3 3 3 3.866 3 3 4.675 4.9538 3.057 3.366 4.5471 3 5.1349 4.7281 2.788 2.3894 4.0781 4.4766 5.2647 5.3845 5.4678 2.4674 3.0016 4.1164 4.0331 5.5656 5.6489 5.2945 4.476 4.1617 -1.742 -1.742 -0.742 -0.742 -2.742 -2.742 -3.742 -3.742 -4.742 -4.742 -6.742 -5.742 -5.742 1.758 3.2969 -0.742 -1.742 0.258 -2.742 0.758 -3.742 -4.742 2.3458 4.1059 2.3458 3.2969 5.0194 -5.742 5.8284 6.742 0.8406 0.1504 0.1754 0.8657 2.1542 3.6599 4.4526 2.1542 3.7984 5.4654 4.6727 5.3825 6.1751 6.9942 7.3084 6.4898 8 8 8 8 8 14 14 15 15 25 23 25 23 26 26 1 Compound Canonicalized 5 2010.07.16 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 573 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 13 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 10 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07301C0000000000000000000000000000160000000000000000000000000018000001D00000000000800C102142F90170C1000A0001027640000802D1112A00940001830008048020088001400000800028000211080800000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 1-butyl-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)imidazol-1-ium IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 1-butyl-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)imidazol-1-ium IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 1-butyl-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)imidazol-1-ium IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 1-butyl-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)imidazol-1-ium IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1-butyl-3-[3,3,4,4,5,5,6,6,7,7,8,8,8-tridecakis(fluoranyl)octyl]imidazol-1-ium IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1-butyl-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)imidazol-1-ium InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C15H16F13N2/c1-2-3-5-29-7-8-30(9-29)6-4-10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h7-9H,2-6H2,1H3/q+1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 QZVUOOXCKWZIDW-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 6.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 471.1105896 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C15H16F13N2+ Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 471.28 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCC[N+]1=CN(C=C1)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCC[N+]1=CN(C=C1)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 8.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 471.1105896 30 0 0 0 0 0 0 0 1 -1