(Perfluorohexyl)ethyltriethoxysilane

C14H19F13O3Si — CID 129830679

IUPACdiethoxy-ethyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-2-yloxy)silane
SMILESCCO[Si](CC)(OCC)OC(C)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChIInChI=1S/C14H19F13O3Si/c1-5-28-31(7-3,29-6-2)30-8(4)9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h8H,5-7H2,1-4H3
InChIKeyVMPGWZZJYNDJLS-UHFFFAOYSA-N
MW510.36 g/mol
LogP—
Rot. Bonds12

About (Perfluorohexyl)ethyltriethoxysilane

(Perfluorohexyl)ethyltriethoxysilane (PubChem CID 129830679) has the molecular formula C14H19F13O3Si and a molecular weight of 510.36 g/mol. Its IUPAC name is diethoxy-ethyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-2-yloxy)silane.

Molecular Properties

Compound Name(Perfluorohexyl)ethyltriethoxysilane
PubChem CID129830679
Molecular FormulaC14H19F13O3Si
Molecular Weight510.36 g/mol
Exact Mass510.09
IUPAC Namediethoxy-ethyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-2-yloxy)silane
SMILESCCO[Si](CC)(OCC)OC(C)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChIInChI=1S/C14H19F13O3Si/c1-5-28-31(7-3,29-6-2)30-8(4)9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h8H,5-7H2,1-4H3
InChIKeyVMPGWZZJYNDJLS-UHFFFAOYSA-N
XLogP—
TPSA27.70 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms31
Complexity588

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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 (Perfluorohexyl)ethyltriethoxysilane?
The IUPAC name of (Perfluorohexyl)ethyltriethoxysilane (CID 129830679) is diethoxy-ethyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-2-yloxy)silane.
What is the SMILES notation for (Perfluorohexyl)ethyltriethoxysilane?
The canonical SMILES for (Perfluorohexyl)ethyltriethoxysilane is CCO[Si](CC)(OCC)OC(C)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.
What is the InChIKey of (Perfluorohexyl)ethyltriethoxysilane?
The InChIKey is VMPGWZZJYNDJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F13O3Si/c1-5-28-31(7-3,29-6-2)30-8(4)9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h8H,5-7H2,1-4H3.
What are the key properties of (Perfluorohexyl)ethyltriethoxysilane?
(Perfluorohexyl)ethyltriethoxysilane has a molecular weight of 510.36 g/mol, XLogP of not available, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (Perfluorohexyl)ethyltriethoxysilane is sourced from PubChem (CID 129830679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).