C66H50F76O10Si5 — CID 159414731
diethoxy-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane;diethoxy-bis(1,2,2-trifluoroethenyl)silane;diethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-(1,2,2-trifluoroethenyl)silane;diethoxy-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-(1,2,2-trifluoroethenyl)silane;diethoxy-(2,3,4,5,6-pentafluorophenyl)-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane (PubChem CID 159414731) has the molecular formula C66H50F76O10Si5 and a molecular weight of 2587.39 g/mol. Its IUPAC name is diethoxy-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane;diethoxy-bis(1,2,2-trifluoroethenyl)silane;diethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-(1,2,2-trifluoroethenyl)silane;diethoxy-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-(1,2,2-trifluoroethenyl)silane;diethoxy-(2,3,4,5,6-pentafluorophenyl)-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane.
| Compound Name | diethoxy-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane;diethoxy-bis(1,2,2-trifluoroethenyl)silane;diethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-(1,2,2-trifluoroethenyl)silane;diethoxy-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-(1,2,2-trifluoroethenyl)silane;diethoxy-(2,3,4,5,6-pentafluorophenyl)-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane |
|---|---|
| PubChem CID | 159414731 |
| Molecular Formula | C66H50F76O10Si5 |
| Molecular Weight | 2587.39 g/mol |
| Exact Mass | 2586.10 |
| IUPAC Name | diethoxy-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane;diethoxy-bis(1,2,2-trifluoroethenyl)silane;diethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-(1,2,2-trifluoroethenyl)silane;diethoxy-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-(1,2,2-trifluoroethenyl)silane;diethoxy-(2,3,4,5,6-pentafluorophenyl)-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane |
| SMILES | CCO[Si](OCC)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.CCO[Si](OCC)(C(F)=C(F)F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F.CCO[Si](OCC)(C(F)=C(F)F)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](OCC)(C(F)=C(F)F)C(F)=C(F)F.CCO[Si](OCC)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(C(F)=C(F)F)c(F)c1F |
| InChI | InChI=1S/C18H10F12O2Si.C16H10F26O2Si.C14H10F20O2Si.C10H10F12O2Si.C8H10F6O2Si/c1-3-31-33(32-4-2,17-14(27)10(23)9(22)11(24)15(17)28)16-12(25)6(19)5(7(20)13(16)26)8(21)18(29)30;1-3-43-45(44-4-2,15(39,40)11(29,30)7(21,22)5(17,18)9(25,26)13(33,34)35)16(41,42)12(31,32)8(23,24)6(19,20)10(27,28)14(36,37)38;1-3-35-37(36-4-2,6(17)5(15)16)14(33,34)12(28,29)10(24,25)8(20,21)7(18,19)9(22,23)11(26,27)13(30,31)32;1-3-23-25(24-4-2,6(13)5(11)12)7(8(14,15)16,9(17,18)19)10(20,21)22;1-3-15-17(16-4-2,7(13)5(9)10)8(14)6(11)12/h3-4H2,1-2H3;3-4H2,1-2H3;3-4H2,1-2H3;3-4H2,1-2H3;3-4H2,1-2H3 |
| InChIKey | LPAGAWRGMVHHSG-UHFFFAOYSA-N |
| XLogP | 31.11 |
| TPSA | 92.30 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 45 |
| Heavy Atoms | 157 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2587.39 |
| LogP ≤ 5 | 31.11 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
| Structural Alerts | {'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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