70678351 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 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 14 14 14 14 14 9 9 9 9 9 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 7 7 7 7 7 7 7 7 7 7 7 7 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 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 1 1 1 1 1 12 -1 13 -1 14 -1 15 -1 16 -1 17 -1 18 -1 19 -1 20 -1 21 -1 22 -1 23 -1 24 -1 25 -1 26 1 27 1 28 1 29 1 30 1 31 1 32 1 33 1 34 1 35 1 36 1 37 1 38 1 39 1 1 1 1 1 2 2 2 2 3 3 3 3 4 4 4 4 5 5 5 5 11 26 26 26 26 27 27 27 27 28 28 28 28 29 29 29 29 30 30 30 30 31 31 31 31 32 32 32 32 33 33 33 33 34 34 34 34 35 35 35 35 36 36 36 36 37 37 37 37 38 38 38 38 39 39 39 39 40 40 41 41 42 42 43 43 44 44 45 6 11 12 13 7 14 15 16 8 17 18 19 9 20 21 22 10 23 24 25 40 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 41 42 43 46 44 47 45 48 45 49 50 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 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 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 2.269 6.001 13.4651 17.1972 9.7331 3.135 6.8671 14.3312 18.0632 10.5991 1.403 1.769 2.769 5.135 5.501 6.501 12.5991 12.9651 13.9651 16.3312 16.6972 17.6972 8.8671 9.2331 10.2331 13.4651 1.5675 1.5675 9.7331 9.7331 17.1972 13.4651 6.001 1.5675 17.1972 9.7331 6.001 9.7331 1.5675 1.403 0.5369 2.269 0.5369 2.269 1.403 0 2.8059 0 2.8059 1.403 14.0021 12.9282 13.1551 13.7751 2.1044 1.0306 1.2575 1.8775 2.1044 1.0306 1.2575 1.8775 10.27 9.1962 9.4231 10.0431 10.27 9.1962 9.4231 10.0431 17.7341 16.6603 16.8872 17.5072 14.0021 12.9282 13.1551 13.7751 6.538 5.4641 5.691 6.311 2.1044 1.0306 1.2575 1.8775 17.7341 16.6603 16.8872 17.5072 10.27 9.1962 9.4231 10.0431 6.538 5.4641 5.691 6.311 10.27 9.1962 9.4231 10.0431 2.1044 1.0306 1.2575 1.8775 4.12 5.5669 5.5669 5.5669 2.493 4.62 6.0669 6.0669 6.0669 2.993 3.62 4.986 3.254 5.0669 6.4329 4.7009 5.0669 6.4329 4.7009 5.0669 6.4329 4.7009 1.993 3.359 1.627 8.9698 7.523 16.7446 15.1176 12.0437 12.0437 12.0437 12.0437 10.5968 8.9698 5.896 8.9698 8.9698 13.6707 2.62 2.12 2.12 1.12 1.12 0.62 2.43 2.43 0.81 0.81 0 9.2798 8.6598 9.5068 8.4329 7.833 7.213 8.0599 6.986 17.0546 16.4346 17.2815 16.2076 15.4276 14.8076 15.6545 14.5807 12.3537 11.7337 12.5807 11.5068 12.3537 11.7337 12.5807 11.5068 12.3537 11.7337 12.5807 11.5068 12.3537 11.7337 12.5807 11.5068 10.9068 10.2868 11.1338 10.0599 9.2798 8.6598 9.5068 8.4329 6.206 5.586 6.4329 5.359 9.2798 8.6598 9.5068 8.4329 9.2798 8.6598 9.5068 8.4329 13.9807 13.3607 14.2076 13.1338 8 8 8 8 8 8 40 40 41 42 43 44 41 42 43 44 45 45 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 153 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 20 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 14 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 00000371F063FDCC000000000000000000000000000000000000300000000000000000010000001A0010004000080480900030068000000080002042000002000020200008880006088808262280111280300024C0110888078040000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 tetradecaammonium;fluoro-dioxido-phenoxy-silane;fluoro(trioxido)silane IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 tetradecaammonium;fluoro-dioxido-phenoxysilane;fluoro(trioxido)silane IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 tetradecaazanium;fluoro-dioxido-phenoxysilane;fluoro(trioxido)silane IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 tetradecaazanium;fluoro-dioxido-phenoxysilane;fluoro(trioxido)silane IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 tetradecaazanium;fluoranyl-bis(oxidanidyl)-phenoxy-silane;fluoranyl-tris(oxidanidyl)silane IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 tetradecaammonium;fluoro-dioxido-phenoxy-silane;fluoro(trioxido)silane InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C6H5FO3Si.4FO3Si.14H3N/c7-11(8,9)10-6-4-2-1-3-5-6;4*1-5(2,3)4;;;;;;;;;;;;;;/h1-5H;;;;;14*1H3/q-2;4*-3;;;;;;;;;;;;;;/p+14 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 RVCRBNZEKUKCTO-UHFFFAOYSA-A Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 804.32073078 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C6H61F5N14O15Si5 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 805.05 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)O[Si]([O-])([O-])F.[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-][Si]([O-])([O-])F.[O-][Si]([O-])([O-])F.[O-][Si]([O-])([O-])F.[O-][Si]([O-])([O-])F SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)O[Si]([O-])([O-])F.[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-][Si]([O-])([O-])F.[O-][Si]([O-])([O-])F.[O-][Si]([O-])([O-])F.[O-][Si]([O-])([O-])F Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 346 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 804.32073078 45 0 0 0 0 0 0 0 19 -1