1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane;1,1,2-triethoxy-2-ethylsilinane

C17H31F7O4Si — CID 174685673

IUPAC1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane;1,1,2-triethoxy-2-ethylsilinane
SMILESCCOC1(CC)CCCC[Si]1(OCC)OCC.FCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H28O3Si.C4H3F7O/c1-5-13(14-6-2)11-9-10-12-17(13,15-7-3)16-8-4;5-1-12-2(3(6,7)8)4(9,10)11/h5-12H2,1-4H3;2H,1H2
InChIKeyUQUDFNOIGJPLCY-UHFFFAOYSA-N
MW460.50 g/mol
LogP5.83
Rot. Bonds9

About 1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane;1,1,2-triethoxy-2-ethylsilinane

1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane;1,1,2-triethoxy-2-ethylsilinane (PubChem CID 174685673) has the molecular formula C17H31F7O4Si and a molecular weight of 460.50 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane;1,1,2-triethoxy-2-ethylsilinane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane;1,1,2-triethoxy-2-ethylsilinane
PubChem CID174685673
Molecular FormulaC17H31F7O4Si
Molecular Weight460.50 g/mol
Exact Mass460.19
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane;1,1,2-triethoxy-2-ethylsilinane
SMILESCCOC1(CC)CCCC[Si]1(OCC)OCC.FCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H28O3Si.C4H3F7O/c1-5-13(14-6-2)11-9-10-12-17(13,15-7-3)16-8-4;5-1-12-2(3(6,7)8)4(9,10)11/h5-12H2,1-4H3;2H,1H2
InChIKeyUQUDFNOIGJPLCY-UHFFFAOYSA-N
XLogP5.83
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.50
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane;1,1,2-triethoxy-2-ethylsilinane?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane;1,1,2-triethoxy-2-ethylsilinane (CID 174685673) is 1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane;1,1,2-triethoxy-2-ethylsilinane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane;1,1,2-triethoxy-2-ethylsilinane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane;1,1,2-triethoxy-2-ethylsilinane is CCOC1(CC)CCCC[Si]1(OCC)OCC.FCOC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane;1,1,2-triethoxy-2-ethylsilinane?
The InChIKey is UQUDFNOIGJPLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3Si.C4H3F7O/c1-5-13(14-6-2)11-9-10-12-17(13,15-7-3)16-8-4;5-1-12-2(3(6,7)8)4(9,10)11/h5-12H2,1-4H3;2H,1H2.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane;1,1,2-triethoxy-2-ethylsilinane?
1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane;1,1,2-triethoxy-2-ethylsilinane has a molecular weight of 460.50 g/mol, XLogP of 5.83, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane;1,1,2-triethoxy-2-ethylsilinane is sourced from PubChem (CID 174685673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).