C68H32Cl5F55O7Si6 — CID 159286705
chloro-ethoxy-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane;chloro-ethoxy-(2,3,4,5,6-pentafluorophenyl)-(1,2,2-trifluoroethenyl)silane;chloro-ethoxy-(2,3,4,5,6-pentafluorophenyl)-(trifluoromethyl)silane;chloro-ethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-(1,2,2-trifluoroethenyl)silane;chloro-methoxy-methyl-(2,3,4,5,6-pentafluorophenyl)silane;ethoxy-hydroxy-bis(2,3,4,5,6-pentafluorophenyl)silane (PubChem CID 159286705) has the molecular formula C68H32Cl5F55O7Si6 and a molecular weight of 2351.67 g/mol. Its IUPAC name is chloro-ethoxy-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane;chloro-ethoxy-(2,3,4,5,6-pentafluorophenyl)-(1,2,2-trifluoroethenyl)silane;chloro-ethoxy-(2,3,4,5,6-pentafluorophenyl)-(trifluoromethyl)silane;chloro-ethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-(1,2,2-trifluoroethenyl)silane;chloro-methoxy-methyl-(2,3,4,5,6-pentafluorophenyl)silane;ethoxy-hydroxy-bis(2,3,4,5,6-pentafluorophenyl)silane.
| Compound Name | chloro-ethoxy-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane;chloro-ethoxy-(2,3,4,5,6-pentafluorophenyl)-(1,2,2-trifluoroethenyl)silane;chloro-ethoxy-(2,3,4,5,6-pentafluorophenyl)-(trifluoromethyl)silane;chloro-ethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-(1,2,2-trifluoroethenyl)silane;chloro-methoxy-methyl-(2,3,4,5,6-pentafluorophenyl)silane;ethoxy-hydroxy-bis(2,3,4,5,6-pentafluorophenyl)silane |
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| PubChem CID | 159286705 |
| Molecular Formula | C68H32Cl5F55O7Si6 |
| Molecular Weight | 2351.67 g/mol |
| Exact Mass | 2347.83 |
| IUPAC Name | chloro-ethoxy-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane;chloro-ethoxy-(2,3,4,5,6-pentafluorophenyl)-(1,2,2-trifluoroethenyl)silane;chloro-ethoxy-(2,3,4,5,6-pentafluorophenyl)-(trifluoromethyl)silane;chloro-ethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-(1,2,2-trifluoroethenyl)silane;chloro-methoxy-methyl-(2,3,4,5,6-pentafluorophenyl)silane;ethoxy-hydroxy-bis(2,3,4,5,6-pentafluorophenyl)silane |
| SMILES | CCO[Si](Cl)(C(F)=C(F)F)c1c(F)c(F)c(C(F)(F)F)c(F)c1F.CCO[Si](Cl)(C(F)=C(F)F)c1c(F)c(F)c(F)c(F)c1F.CCO[Si](Cl)(c1c(F)c(F)c(C(F)(F)F)c(F)c1F)c1c(F)c(F)c(C(F)(F)F)c(F)c1F.CCO[Si](Cl)(c1c(F)c(F)c(F)c(F)c1F)C(F)(F)F.CCO[Si](O)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.CO[Si](C)(Cl)c1c(F)c(F)c(F)c(F)c1F |
| InChI | InChI=1S/C16H5ClF14OSi.C14H6F10O2Si.C11H5ClF10OSi.C10H5ClF8OSi.C9H5ClF8OSi.C8H6ClF5OSi/c1-2-32-33(17,13-9(22)5(18)3(15(26,27)28)6(19)10(13)23)14-11(24)7(20)4(16(29,30)31)8(21)12(14)25;1-2-26-27(25,13-9(21)5(17)3(15)6(18)10(13)22)14-11(23)7(19)4(16)8(20)12(14)24;1-2-23-24(12,10(19)9(17)18)8-6(15)4(13)3(11(20,21)22)5(14)7(8)16;1-2-20-21(11,10(19)9(17)18)8-6(15)4(13)3(12)5(14)7(8)16;1-2-19-20(10,9(16,17)18)8-6(14)4(12)3(11)5(13)7(8)15;1-15-16(2,9)8-6(13)4(11)3(10)5(12)7(8)14/h2H2,1H3;25H,2H2,1H3;2H2,1H3;2H2,1H3;2H2,1H3;1-2H3 |
| InChIKey | KZPIKHLMAXLAKR-UHFFFAOYSA-N |
| XLogP | 23.01 |
| TPSA | 75.61 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 7 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 141 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2351.67 |
| LogP ≤ 5 | 23.01 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 7 |
| 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': 'silicon_halogen', 'substructure': 'N/A'} |
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