triethoxy(1,1,2,2,3,3,4,4,4-nonafluorobutyl)silane;triethoxy-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethyl]silane

C20H30F16O7Si2 — CID 158351350

About triethoxy(1,1,2,2,3,3,4,4,4-nonafluorobutyl)silane;triethoxy-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethyl]silane

triethoxy(1,1,2,2,3,3,4,4,4-nonafluorobutyl)silane;triethoxy-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethyl]silane (PubChem CID 158351350) has the molecular formula C20H30F16O7Si2 and a molecular weight of 742.59 g/mol. Its IUPAC name is triethoxy(1,1,2,2,3,3,4,4,4-nonafluorobutyl)silane;triethoxy-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethyl]silane.

Molecular Properties

• Compound Name: triethoxy(1,1,2,2,3,3,4,4,4-nonafluorobutyl)silane;triethoxy-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethyl]silane
• PubChem CID: 158351350
• Molecular Formula: C20H30F16O7Si2
• Molecular Weight: 742.59 g/mol
• Exact Mass: 742.13
• IUPAC Name: triethoxy(1,1,2,2,3,3,4,4,4-nonafluorobutyl)silane;triethoxy-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethyl]silane
• SMILES: CCO[Si](OCC)(OCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.CCO[Si](OCC)(OCC)C(F)(F)C(F)(F)OC(F)=C(F)F
• InChI: InChI=1S/C10H15F9O3Si.C10H15F7O4Si/c1-4-20-23(21-5-2,22-6-3)10(18,19)8(13,14)7(11,12)9(15,16)17;1-4-18-22(19-5-2,20-6-3)10(16,17)9(14,15)21-8(13)7(11)12/h4-6H2,1-3H3;4-6H2,1-3H3
• InChIKey: GSIXFWSTYNSKLO-UHFFFAOYSA-N
• XLogP: 7.90
• TPSA: 64.61 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 19
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	742.59
LogP ≤ 5	7.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of triethoxy(1,1,2,2,3,3,4,4,4-nonafluorobutyl)silane;triethoxy-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethyl]silane?

The IUPAC name of triethoxy(1,1,2,2,3,3,4,4,4-nonafluorobutyl)silane;triethoxy-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethyl]silane (CID 158351350) is triethoxy(1,1,2,2,3,3,4,4,4-nonafluorobutyl)silane;triethoxy-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethyl]silane.

What is the SMILES notation for triethoxy(1,1,2,2,3,3,4,4,4-nonafluorobutyl)silane;triethoxy-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethyl]silane?

The canonical SMILES for triethoxy(1,1,2,2,3,3,4,4,4-nonafluorobutyl)silane;triethoxy-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethyl]silane is CCO[Si](OCC)(OCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.CCO[Si](OCC)(OCC)C(F)(F)C(F)(F)OC(F)=C(F)F.

What is the InChIKey of triethoxy(1,1,2,2,3,3,4,4,4-nonafluorobutyl)silane;triethoxy-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethyl]silane?

The InChIKey is GSIXFWSTYNSKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F9O3Si.C10H15F7O4Si/c1-4-20-23(21-5-2,22-6-3)10(18,19)8(13,14)7(11,12)9(15,16)17;1-4-18-22(19-5-2,20-6-3)10(16,17)9(14,15)21-8(13)7(11)12/h4-6H2,1-3H3;4-6H2,1-3H3.

What are the key properties of triethoxy(1,1,2,2,3,3,4,4,4-nonafluorobutyl)silane;triethoxy-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethyl]silane?

triethoxy(1,1,2,2,3,3,4,4,4-nonafluorobutyl)silane;triethoxy-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethyl]silane has a molecular weight of 742.59 g/mol, XLogP of 7.90, 19 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for triethoxy(1,1,2,2,3,3,4,4,4-nonafluorobutyl)silane;triethoxy-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethyl]silane is sourced from PubChem (CID 158351350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).