triethoxy(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane

C12H19F9O3Si — CID 53437828

IUPACtriethoxy(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane
SMILESCCO[Si](OCC)(OCC)C(F)(F)C(F)(F)C(F)(F)CCC(F)(F)F
InChIInChI=1S/C12H19F9O3Si/c1-4-22-25(23-5-2,24-6-3)12(20,21)11(18,19)9(13,14)7-8-10(15,16)17/h4-8H2,1-3H3
InChIKeyAZOLQBGEMLPHAI-UHFFFAOYSA-N
MW410.35 g/mol
LogP4.82
Rot. Bonds11

About triethoxy(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane

triethoxy(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane (PubChem CID 53437828) has the molecular formula C12H19F9O3Si and a molecular weight of 410.35 g/mol. Its IUPAC name is triethoxy(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane.

Molecular Properties

Compound Nametriethoxy(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane
PubChem CID53437828
Molecular FormulaC12H19F9O3Si
Molecular Weight410.35 g/mol
Exact Mass410.10
IUPAC Nametriethoxy(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane
SMILESCCO[Si](OCC)(OCC)C(F)(F)C(F)(F)C(F)(F)CCC(F)(F)F
InChIInChI=1S/C12H19F9O3Si/c1-4-22-25(23-5-2,24-6-3)12(20,21)11(18,19)9(13,14)7-8-10(15,16)17/h4-8H2,1-3H3
InChIKeyAZOLQBGEMLPHAI-UHFFFAOYSA-N
XLogP4.82
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.35
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triethoxy(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane?
The IUPAC name of triethoxy(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane (CID 53437828) is triethoxy(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane.
What is the SMILES notation for triethoxy(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane?
The canonical SMILES for triethoxy(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane is CCO[Si](OCC)(OCC)C(F)(F)C(F)(F)C(F)(F)CCC(F)(F)F.
What is the InChIKey of triethoxy(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane?
The InChIKey is AZOLQBGEMLPHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F9O3Si/c1-4-22-25(23-5-2,24-6-3)12(20,21)11(18,19)9(13,14)7-8-10(15,16)17/h4-8H2,1-3H3.
What are the key properties of triethoxy(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane?
triethoxy(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane has a molecular weight of 410.35 g/mol, XLogP of 4.82, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane is sourced from PubChem (CID 53437828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).