chloro-ethoxy-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane;chloro-ethoxy-bis(1,2,2-trifluoroethenyl)silane;chloro-ethoxy-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-(1,2,2-trifluoroethenyl)silane;chloro-ethoxy-(2,3,4,5,6-pentafluorophenyl)-(trifluoromethyl)silane;chloro-ethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane;1-[chloro-ethoxy-(1,2,2-trifluoroethenyl)silyl]-1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1-thiol

C66H31Cl6F85O6SSi6 — CID 157473508

About chloro-ethoxy-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane;chloro-ethoxy-bis(1,2,2-trifluoroethenyl)silane;chloro-ethoxy-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-(1,2,2-trifluoroethenyl)silane;chloro-ethoxy-(2,3,4,5,6-pentafluorophenyl)-(trifluoromethyl)silane;chloro-ethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane;1-[chloro-ethoxy-(1,2,2-trifluoroethenyl)silyl]-1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1-thiol

chloro-ethoxy-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane;chloro-ethoxy-bis(1,2,2-trifluoroethenyl)silane;chloro-ethoxy-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-(1,2,2-trifluoroethenyl)silane;chloro-ethoxy-(2,3,4,5,6-pentafluorophenyl)-(trifluoromethyl)silane;chloro-ethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane;1-[chloro-ethoxy-(1,2,2-trifluoroethenyl)silyl]-1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1-thiol (PubChem CID 157473508) has the molecular formula C66H31Cl6F85O6SSi6 and a molecular weight of 2948.10 g/mol. Its IUPAC name is chloro-ethoxy-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane;chloro-ethoxy-bis(1,2,2-trifluoroethenyl)silane;chloro-ethoxy-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-(1,2,2-trifluoroethenyl)silane;chloro-ethoxy-(2,3,4,5,6-pentafluorophenyl)-(trifluoromethyl)silane;chloro-ethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane;1-[chloro-ethoxy-(1,2,2-trifluoroethenyl)silyl]-1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1-thiol.

Molecular Properties

• Compound Name: chloro-ethoxy-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane;chloro-ethoxy-bis(1,2,2-trifluoroethenyl)silane;chloro-ethoxy-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-(1,2,2-trifluoroethenyl)silane;chloro-ethoxy-(2,3,4,5,6-pentafluorophenyl)-(trifluoromethyl)silane;chloro-ethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane;1-[chloro-ethoxy-(1,2,2-trifluoroethenyl)silyl]-1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1-thiol
• PubChem CID: 157473508
• Molecular Formula: C66H31Cl6F85O6SSi6
• Molecular Weight: 2948.10 g/mol
• Exact Mass: 2943.72
• IUPAC Name: chloro-ethoxy-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane;chloro-ethoxy-bis(1,2,2-trifluoroethenyl)silane;chloro-ethoxy-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-(1,2,2-trifluoroethenyl)silane;chloro-ethoxy-(2,3,4,5,6-pentafluorophenyl)-(trifluoromethyl)silane;chloro-ethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane;1-[chloro-ethoxy-(1,2,2-trifluoroethenyl)silyl]-1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1-thiol
• SMILES: CCO[Si](Cl)(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](Cl)(C(F)=C(F)F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F.CCO[Si](Cl)(C(F)=C(F)F)C(F)(S)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)(C(F)=C(F)F)C(F)=C(F)F.CCO[Si](Cl)(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.CCO[Si](Cl)(c1c(F)c(F)c(F)c(F)c1F)C(F)(F)F
• InChI: InChI=1S/C17H5ClF14OSi.C14H5ClF26OSi.C12H6ClF19OSSi.C9H5ClF8OSi.C8H5ClF12OSi.C6H5ClF6OSi/c1-2-33-34(18,15-12(26)8(22)4(17(30,31)32)9(23)13(15)27)14-10(24)5(19)3(6(20)11(14)25)7(21)16(28)29;1-2-42-43(15,13(38,39)9(28,29)5(20,21)3(16,17)7(24,25)11(32,33)34)14(40,41)10(30,31)6(22,23)4(18,19)8(26,27)12(35,36)37;1-2-33-35(13,4(16)3(14)15)12(32,34)10(27,28)8(23,24)6(19,20)5(17,18)7(21,22)9(25,26)11(29,30)31;1-2-19-20(10,9(16,17)18)8-6(14)4(12)3(11)5(13)7(8)15;1-2-22-23(9,4(12)3(10)11)5(6(13,14)15,7(16,17)18)8(19,20)21;1-2-14-15(7,5(12)3(8)9)6(13)4(10)11/h2H2,1H3;2H2,1H3;34H,2H2,1H3;2H2,1H3;2H2,1H3;2H2,1H3
• InChIKey: BVHUZIGCVXHZHO-UHFFFAOYSA-N
• XLogP: 36.37
• TPSA: 55.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 38
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2948.10
LogP ≤ 5	36.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• 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'}

Frequently Asked Questions

What is the IUPAC name of chloro-ethoxy-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane;chloro-ethoxy-bis(1,2,2-trifluoroethenyl)silane;chloro-ethoxy-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-(1,2,2-trifluoroethenyl)silane;chloro-ethoxy-(2,3,4,5,6-pentafluorophenyl)-(trifluoromethyl)silane;chloro-ethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane;1-[chloro-ethoxy-(1,2,2-trifluoroethenyl)silyl]-1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1-thiol?

The IUPAC name of chloro-ethoxy-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane;chloro-ethoxy-bis(1,2,2-trifluoroethenyl)silane;chloro-ethoxy-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-(1,2,2-trifluoroethenyl)silane;chloro-ethoxy-(2,3,4,5,6-pentafluorophenyl)-(trifluoromethyl)silane;chloro-ethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane;1-[chloro-ethoxy-(1,2,2-trifluoroethenyl)silyl]-1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1-thiol (CID 157473508) is chloro-ethoxy-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane;chloro-ethoxy-bis(1,2,2-trifluoroethenyl)silane;chloro-ethoxy-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-(1,2,2-trifluoroethenyl)silane;chloro-ethoxy-(2,3,4,5,6-pentafluorophenyl)-(trifluoromethyl)silane;chloro-ethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane;1-[chloro-ethoxy-(1,2,2-trifluoroethenyl)silyl]-1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1-thiol.

What is the SMILES notation for chloro-ethoxy-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane;chloro-ethoxy-bis(1,2,2-trifluoroethenyl)silane;chloro-ethoxy-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-(1,2,2-trifluoroethenyl)silane;chloro-ethoxy-(2,3,4,5,6-pentafluorophenyl)-(trifluoromethyl)silane;chloro-ethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane;1-[chloro-ethoxy-(1,2,2-trifluoroethenyl)silyl]-1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1-thiol?

The canonical SMILES for chloro-ethoxy-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane;chloro-ethoxy-bis(1,2,2-trifluoroethenyl)silane;chloro-ethoxy-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-(1,2,2-trifluoroethenyl)silane;chloro-ethoxy-(2,3,4,5,6-pentafluorophenyl)-(trifluoromethyl)silane;chloro-ethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane;1-[chloro-ethoxy-(1,2,2-trifluoroethenyl)silyl]-1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1-thiol is CCO[Si](Cl)(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](Cl)(C(F)=C(F)F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F.CCO[Si](Cl)(C(F)=C(F)F)C(F)(S)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)(C(F)=C(F)F)C(F)=C(F)F.CCO[Si](Cl)(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.CCO[Si](Cl)(c1c(F)c(F)c(F)c(F)c1F)C(F)(F)F.

What is the InChIKey of chloro-ethoxy-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane;chloro-ethoxy-bis(1,2,2-trifluoroethenyl)silane;chloro-ethoxy-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-(1,2,2-trifluoroethenyl)silane;chloro-ethoxy-(2,3,4,5,6-pentafluorophenyl)-(trifluoromethyl)silane;chloro-ethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane;1-[chloro-ethoxy-(1,2,2-trifluoroethenyl)silyl]-1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1-thiol?

The InChIKey is BVHUZIGCVXHZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H5ClF14OSi.C14H5ClF26OSi.C12H6ClF19OSSi.C9H5ClF8OSi.C8H5ClF12OSi.C6H5ClF6OSi/c1-2-33-34(18,15-12(26)8(22)4(17(30,31)32)9(23)13(15)27)14-10(24)5(19)3(6(20)11(14)25)7(21)16(28)29;1-2-42-43(15,13(38,39)9(28,29)5(20,21)3(16,17)7(24,25)11(32,33)34)14(40,41)10(30,31)6(22,23)4(18,19)8(26,27)12(35,36)37;1-2-33-35(13,4(16)3(14)15)12(32,34)10(27,28)8(23,24)6(19,20)5(17,18)7(21,22)9(25,26)11(29,30)31;1-2-19-20(10,9(16,17)18)8-6(14)4(12)3(11)5(13)7(8)15;1-2-22-23(9,4(12)3(10)11)5(6(13,14)15,7(16,17)18)8(19,20)21;1-2-14-15(7,5(12)3(8)9)6(13)4(10)11/h2H2,1H3;2H2,1H3;34H,2H2,1H3;2H2,1H3;2H2,1H3;2H2,1H3.

What are the key properties of chloro-ethoxy-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane;chloro-ethoxy-bis(1,2,2-trifluoroethenyl)silane;chloro-ethoxy-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-(1,2,2-trifluoroethenyl)silane;chloro-ethoxy-(2,3,4,5,6-pentafluorophenyl)-(trifluoromethyl)silane;chloro-ethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane;1-[chloro-ethoxy-(1,2,2-trifluoroethenyl)silyl]-1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1-thiol?

chloro-ethoxy-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane;chloro-ethoxy-bis(1,2,2-trifluoroethenyl)silane;chloro-ethoxy-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-(1,2,2-trifluoroethenyl)silane;chloro-ethoxy-(2,3,4,5,6-pentafluorophenyl)-(trifluoromethyl)silane;chloro-ethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane;1-[chloro-ethoxy-(1,2,2-trifluoroethenyl)silyl]-1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1-thiol has a molecular weight of 2948.10 g/mol, XLogP of 36.37, 38 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for chloro-ethoxy-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane;chloro-ethoxy-bis(1,2,2-trifluoroethenyl)silane;chloro-ethoxy-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-(1,2,2-trifluoroethenyl)silane;chloro-ethoxy-(2,3,4,5,6-pentafluorophenyl)-(trifluoromethyl)silane;chloro-ethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane;1-[chloro-ethoxy-(1,2,2-trifluoroethenyl)silyl]-1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1-thiol is sourced from PubChem (CID 157473508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).