1,1,2-triethoxy-2-ethyl-3-fluorosilinane

C13H27FO3Si — CID 174856524

IUPAC1,1,2-triethoxy-2-ethyl-3-fluorosilinane
SMILESCCOC1(CC)C(F)CCC[Si]1(OCC)OCC
InChIInChI=1S/C13H27FO3Si/c1-5-13(15-6-2)12(14)10-9-11-18(13,16-7-3)17-8-4/h12H,5-11H2,1-4H3
InChIKeyUIFQGPZHOYRSAO-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.36
Rot. Bonds7

About 1,1,2-triethoxy-2-ethyl-3-fluorosilinane

1,1,2-triethoxy-2-ethyl-3-fluorosilinane (PubChem CID 174856524) has the molecular formula C13H27FO3Si and a molecular weight of 278.44 g/mol. Its IUPAC name is 1,1,2-triethoxy-2-ethyl-3-fluorosilinane.

Molecular Properties

Compound Name1,1,2-triethoxy-2-ethyl-3-fluorosilinane
PubChem CID174856524
Molecular FormulaC13H27FO3Si
Molecular Weight278.44 g/mol
Exact Mass278.17
IUPAC Name1,1,2-triethoxy-2-ethyl-3-fluorosilinane
SMILESCCOC1(CC)C(F)CCC[Si]1(OCC)OCC
InChIInChI=1S/C13H27FO3Si/c1-5-13(15-6-2)12(14)10-9-11-18(13,16-7-3)17-8-4/h12H,5-11H2,1-4H3
InChIKeyUIFQGPZHOYRSAO-UHFFFAOYSA-N
XLogP3.36
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1,1,2-triethoxy-2-ethyl-3-fluorosilinane?
The IUPAC name of 1,1,2-triethoxy-2-ethyl-3-fluorosilinane (CID 174856524) is 1,1,2-triethoxy-2-ethyl-3-fluorosilinane.
What is the SMILES notation for 1,1,2-triethoxy-2-ethyl-3-fluorosilinane?
The canonical SMILES for 1,1,2-triethoxy-2-ethyl-3-fluorosilinane is CCOC1(CC)C(F)CCC[Si]1(OCC)OCC.
What is the InChIKey of 1,1,2-triethoxy-2-ethyl-3-fluorosilinane?
The InChIKey is UIFQGPZHOYRSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27FO3Si/c1-5-13(15-6-2)12(14)10-9-11-18(13,16-7-3)17-8-4/h12H,5-11H2,1-4H3.
What are the key properties of 1,1,2-triethoxy-2-ethyl-3-fluorosilinane?
1,1,2-triethoxy-2-ethyl-3-fluorosilinane has a molecular weight of 278.44 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-triethoxy-2-ethyl-3-fluorosilinane is sourced from PubChem (CID 174856524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).