C91H90Cl9F81GeO19Si8 — CID 158831599
bis(chloro-diethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)silane);chloro-diethoxy-(2,3,4,5,6-pentafluorophenyl)germane;chloro-diethoxy-(2,3,4,5,6-pentafluorophenyl)silane;chloro-diethoxy-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethyl]silane;chloro-diethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane;chloro-diethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane;chloro-diethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane;chloro-diethoxy-(1,2,2-trifluoroethenyl)silane (PubChem CID 158831599) has the molecular formula C91H90Cl9F81GeO19Si8 and a molecular weight of 3642.91 g/mol. Its IUPAC name is bis(chloro-diethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)silane);chloro-diethoxy-(2,3,4,5,6-pentafluorophenyl)germane;chloro-diethoxy-(2,3,4,5,6-pentafluorophenyl)silane;chloro-diethoxy-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethyl]silane;chloro-diethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane;chloro-diethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane;chloro-diethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane;chloro-diethoxy-(1,2,2-trifluoroethenyl)silane.
| Compound Name | bis(chloro-diethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)silane);chloro-diethoxy-(2,3,4,5,6-pentafluorophenyl)germane;chloro-diethoxy-(2,3,4,5,6-pentafluorophenyl)silane;chloro-diethoxy-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethyl]silane;chloro-diethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane;chloro-diethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane;chloro-diethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane;chloro-diethoxy-(1,2,2-trifluoroethenyl)silane |
|---|---|
| PubChem CID | 158831599 |
| Molecular Formula | C91H90Cl9F81GeO19Si8 |
| Molecular Weight | 3642.91 g/mol |
| Exact Mass | 3637.93 |
| IUPAC Name | bis(chloro-diethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)silane);chloro-diethoxy-(2,3,4,5,6-pentafluorophenyl)germane;chloro-diethoxy-(2,3,4,5,6-pentafluorophenyl)silane;chloro-diethoxy-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethyl]silane;chloro-diethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane;chloro-diethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane;chloro-diethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane;chloro-diethoxy-(1,2,2-trifluoroethenyl)silane |
| SMILES | CCO[Ge](Cl)(OCC)c1c(F)c(F)c(F)c(F)c1F.CCO[Si](Cl)(OCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.CCO[Si](Cl)(OCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.CCO[Si](Cl)(OCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.CCO[Si](Cl)(OCC)C(F)(F)C(F)(F)OC(F)=C(F)F.CCO[Si](Cl)(OCC)C(F)=C(F)F.CCO[Si](Cl)(OCC)c1c(F)c(F)c(C(F)(F)F)c(F)c1F.CCO[Si](Cl)(OCC)c1c(F)c(F)c(C(F)=C(F)F)c(F)c1F.CCO[Si](Cl)(OCC)c1c(F)c(F)c(F)c(F)c1F |
| InChI | InChI=1S/2C12H10ClF17O2Si.C12H10ClF7O2Si.C11H10ClF7O2Si.C10H10ClF13O2Si.C10H10ClF5GeO2.C10H10ClF5O2Si.C8H10ClF7O3Si.C6H10ClF3O2Si/c2*1-3-31-33(13,32-4-2)12(29,30)10(24,25)8(20,21)6(16,17)5(14,15)7(18,19)9(22,23)11(26,27)28;1-3-21-23(13,22-4-2)11-9(17)6(14)5(7(15)10(11)18)8(16)12(19)20;1-3-20-22(12,21-4-2)10-8(15)6(13)5(11(17,18)19)7(14)9(10)16;1-3-25-27(11,26-4-2)10(23,24)8(18,19)6(14,15)5(12,13)7(16,17)9(20,21)22;1-3-18-17(11,19-4-2)10-8(15)6(13)5(12)7(14)9(10)16;1-3-17-19(11,18-4-2)10-8(15)6(13)5(12)7(14)9(10)16;1-3-17-20(9,18-4-2)8(15,16)7(13,14)19-6(12)5(10)11;1-3-11-13(7,12-4-2)6(10)5(8)9/h2*3-4H2,1-2H3;3-4H2,1-2H3;3-4H2,1-2H3;3-4H2,1-2H3;2*3-4H2,1-2H3;3-4H2,1-2H3;3-4H2,1-2H3 |
| InChIKey | IXCOOXQOZBPQJQ-UHFFFAOYSA-N |
| XLogP | 39.63 |
| TPSA | 175.37 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 65 |
| Heavy Atoms | 209 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3642.91 |
| LogP ≤ 5 | 39.63 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 19 |
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'} |
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