C26Cl4F38Si2 — CID 160824364
dichloro-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane;dichloro-(2,3,4,5,6-pentafluorophenyl)-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane (PubChem CID 160824364) has the molecular formula C26Cl4F38Si2 and a molecular weight of 1232.19 g/mol. Its IUPAC name is dichloro-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane;dichloro-(2,3,4,5,6-pentafluorophenyl)-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane.
| Compound Name | dichloro-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane;dichloro-(2,3,4,5,6-pentafluorophenyl)-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane |
|---|---|
| PubChem CID | 160824364 |
| Molecular Formula | C26Cl4F38Si2 |
| Molecular Weight | 1232.19 g/mol |
| Exact Mass | 1229.77 |
| IUPAC Name | dichloro-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane;dichloro-(2,3,4,5,6-pentafluorophenyl)-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane |
| SMILES | FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[Si](Cl)(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.FC(F)=C(F)c1c(F)c(F)c([Si](Cl)(Cl)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F |
| InChI | InChI=1S/C14Cl2F12Si.C12Cl2F26Si/c15-29(16,13-10(25)6(21)5(20)7(22)11(13)26)12-8(23)2(17)1(3(18)9(12)24)4(19)14(27)28;13-41(14,11(37,38)7(27,28)3(19,20)1(15,16)5(23,24)9(31,32)33)12(39,40)8(29,30)4(21,22)2(17,18)6(25,26)10(34,35)36 |
| InChIKey | SFYSQGCNRAGOSE-UHFFFAOYSA-N |
| XLogP | 14.97 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 13 |
| Heavy Atoms | 70 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1232.19 |
| LogP ≤ 5 | 14.97 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
| 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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'} |
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