1,1,2-triethoxy-2-ethyl-3-(2,3,3-trifluoropropyl)silinane

C16H31F3O3Si — CID 174814330

IUPAC1,1,2-triethoxy-2-ethyl-3-(2,3,3-trifluoropropyl)silinane
SMILESCCOC1(CC)C(CC(F)C(F)F)CCC[Si]1(OCC)OCC
InChIInChI=1S/C16H31F3O3Si/c1-5-16(20-6-2)13(12-14(17)15(18)19)10-9-11-23(16,21-7-3)22-8-4/h13-15H,5-12H2,1-4H3
InChIKeyLBZVCESLLSYJJT-UHFFFAOYSA-N
MW356.50 g/mol
LogP4.63
Rot. Bonds10

About 1,1,2-triethoxy-2-ethyl-3-(2,3,3-trifluoropropyl)silinane

1,1,2-triethoxy-2-ethyl-3-(2,3,3-trifluoropropyl)silinane (PubChem CID 174814330) has the molecular formula C16H31F3O3Si and a molecular weight of 356.50 g/mol. Its IUPAC name is 1,1,2-triethoxy-2-ethyl-3-(2,3,3-trifluoropropyl)silinane.

Molecular Properties

Compound Name1,1,2-triethoxy-2-ethyl-3-(2,3,3-trifluoropropyl)silinane
PubChem CID174814330
Molecular FormulaC16H31F3O3Si
Molecular Weight356.50 g/mol
Exact Mass356.20
IUPAC Name1,1,2-triethoxy-2-ethyl-3-(2,3,3-trifluoropropyl)silinane
SMILESCCOC1(CC)C(CC(F)C(F)F)CCC[Si]1(OCC)OCC
InChIInChI=1S/C16H31F3O3Si/c1-5-16(20-6-2)13(12-14(17)15(18)19)10-9-11-23(16,21-7-3)22-8-4/h13-15H,5-12H2,1-4H3
InChIKeyLBZVCESLLSYJJT-UHFFFAOYSA-N
XLogP4.63
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 54.63
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-(2,3,3-trifluoropropyl)silinane?
The IUPAC name of 1,1,2-triethoxy-2-ethyl-3-(2,3,3-trifluoropropyl)silinane (CID 174814330) is 1,1,2-triethoxy-2-ethyl-3-(2,3,3-trifluoropropyl)silinane.
What is the SMILES notation for 1,1,2-triethoxy-2-ethyl-3-(2,3,3-trifluoropropyl)silinane?
The canonical SMILES for 1,1,2-triethoxy-2-ethyl-3-(2,3,3-trifluoropropyl)silinane is CCOC1(CC)C(CC(F)C(F)F)CCC[Si]1(OCC)OCC.
What is the InChIKey of 1,1,2-triethoxy-2-ethyl-3-(2,3,3-trifluoropropyl)silinane?
The InChIKey is LBZVCESLLSYJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31F3O3Si/c1-5-16(20-6-2)13(12-14(17)15(18)19)10-9-11-23(16,21-7-3)22-8-4/h13-15H,5-12H2,1-4H3.
What are the key properties of 1,1,2-triethoxy-2-ethyl-3-(2,3,3-trifluoropropyl)silinane?
1,1,2-triethoxy-2-ethyl-3-(2,3,3-trifluoropropyl)silinane has a molecular weight of 356.50 g/mol, XLogP of 4.63, 10 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-(2,3,3-trifluoropropyl)silinane is sourced from PubChem (CID 174814330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).