11411114 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 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 16 16 9 9 9 9 9 9 9 9 9 8 8 8 8 7 7 7 7 7 6 6 6 6 6 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 1 1 1 1 1 1 1 1 1 1 1 1 16 1 20 -1 1 1 1 1 2 2 2 2 3 4 5 6 7 8 9 10 11 16 16 16 17 17 17 18 18 18 19 19 21 22 22 22 23 23 23 25 25 26 27 27 27 28 28 28 29 29 29 30 30 30 31 31 31 32 32 32 33 33 34 34 34 35 37 37 37 38 38 38 12 13 20 39 14 15 20 40 36 36 36 39 39 39 40 40 40 21 22 25 21 23 26 24 29 33 24 35 24 27 41 42 28 43 44 26 45 46 31 47 48 32 49 50 30 51 52 34 53 54 36 55 56 37 57 58 35 59 38 60 61 62 63 64 65 66 67 68 2 2 1 1 2 2 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 2 1 1 1 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 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 4.5841 2.8521 1.366 0 0.366 6.3162 4.9501 5.9501 1.12 1.486 2.486 4.0841 5.0841 2.3521 3.352 2.5981 3.0981 5.1672 4.6672 3.7181 3.4071 2.5981 3.6859 4.3582 1.7891 2.0981 1.732 3.2791 5.1672 6.0332 1.732 3.8669 5.9762 6.0332 5.6672 0.866 3.4602 6.8992 5.4501 1.986 2.8101 3.2087 4.1166 4.1999 1.1994 1.7336 1.52 1.1215 2.8484 2.7651 4.9551 4.5566 6.2452 6.6438 1.9441 2.3426 4.2976 4.3809 6.5658 5.8211 5.4226 6.0316 4.0266 3.208 2.8938 7.2092 7.4362 6.5892 0.866 0.866 4.232 4.5981 5.9641 1.866 2.232 0.5 1.866 0.5 2.232 1.732 0 0 1.732 8.0981 9.6369 8.9646 7.4258 0.366 8.6859 7.0981 10.4459 8.3768 8.6859 9.6369 6.5981 11.3595 9.9646 10.4646 5.5981 12.1685 8.3768 11.4646 7.4258 5.0981 13.082 11.9646 1.366 1.366 6.5155 7.2057 9.9999 10.7926 8.4943 10.1385 7.1807 6.4904 11.8055 11.0128 10.5472 9.857 9.882 10.5723 5.0155 5.7057 11.7225 12.5152 8.5684 12.0472 11.357 6.9242 13.3342 13.6484 12.8299 11.4277 12.2746 12.5016 8 8 8 8 8 8 8 8 8 8 16 16 17 17 18 18 19 19 25 33 21 25 21 26 24 33 24 35 26 35 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 752 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 15 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 12 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07BB9C0600000000000000000000000000162C0000000000000000000000001E000001D04004000000800C103142F90170C1002A0001227647000802D1112A00940001830008048000088001400000800028000200000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(trifluoromethylsulfonyl)azanide;1-butyl-2-(1-butylimidazol-2-yl)-3-(4,4,4-trifluorobutyl)imidazol-3-ium IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(trifluoromethylsulfonyl)azanide;1-butyl-2-(1-butyl-2-imidazolyl)-3-(4,4,4-trifluorobutyl)imidazol-3-ium IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(trifluoromethylsulfonyl)azanide;1-butyl-2-(1-butylimidazol-2-yl)-3-(4,4,4-trifluorobutyl)imidazol-3-ium IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(trifluoromethylsulfonyl)azanide;1-butyl-2-(1-butylimidazol-2-yl)-3-(4,4,4-trifluorobutyl)imidazol-3-ium IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 bis(trifluoromethylsulfonyl)azanide;1-butyl-2-(1-butylimidazol-2-yl)-3-[4,4,4-tris(fluoranyl)butyl]imidazol-3-ium IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1-butyl-2-(1-butylimidazol-2-yl)-3-(4,4,4-trifluorobutyl)imidazol-3-ium;ditriflylazanide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C18H28F3N4.C2F6NO4S2/c1-3-5-10-23-13-9-22-16(23)17-24(11-6-4-2)14-15-25(17)12-7-8-18(19,20)21;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h9,13-15H,3-8,10-12H2,1-2H3;/q+1;-1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 DLJHSISGUVKJDG-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 637.14390020 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H28F9N5O4S2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 637.6 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCN1C=CN=C1C2=[N+](C=CN2CCCC)CCCC(F)(F)F.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCN1C=CN=C1C2=[N+](C=CN2CCCC)CCCC(F)(F)F.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 113 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 637.14390020 40 0 0 0 0 0 0 0 2 -1