C37H20F28O4Si2 — CID 157305300
diethoxy-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane;diethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane (PubChem CID 157305300) has the molecular formula C37H20F28O4Si2 and a molecular weight of 1116.68 g/mol. Its IUPAC name is diethoxy-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane;diethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane.
| Compound Name | diethoxy-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane;diethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane |
|---|---|
| PubChem CID | 157305300 |
| Molecular Formula | C37H20F28O4Si2 |
| Molecular Weight | 1116.68 g/mol |
| Exact Mass | 1116.05 |
| IUPAC Name | diethoxy-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane;diethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane |
| SMILES | CCO[Si](OCC)(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](OCC)(c1c(F)c(F)c(C(F)=C(F)F)c(F)c1F)c1c(F)c(F)c(C(F)(F)F)c(F)c1F |
| InChI | InChI=1S/C19H10F14O2Si.C18H10F14O2Si/c1-3-34-36(35-4-2,17-14(27)10(23)6(19(31,32)33)11(24)15(17)28)16-12(25)7(20)5(8(21)13(16)26)9(22)18(29)30;1-3-33-35(34-4-2,15-11(23)7(19)5(17(27,28)29)8(20)12(15)24)16-13(25)9(21)6(18(30,31)32)10(22)14(16)26/h3-4H2,1-2H3;3-4H2,1-2H3 |
| InChIKey | BCJXDLRQMKEACD-UHFFFAOYSA-N |
| XLogP | 11.45 |
| TPSA | 36.92 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 71 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1116.68 |
| LogP ≤ 5 | 11.45 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
| Structural Alerts | {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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