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

C14H27F3O3Si — CID 174600475

IUPAC1,1,2-triethoxy-2-(3,3,3-trifluoropropyl)silinane
SMILESCCOC1(CCC(F)(F)F)CCCC[Si]1(OCC)OCC
InChIInChI=1S/C14H27F3O3Si/c1-4-18-13(10-11-14(15,16)17)9-7-8-12-21(13,19-5-2)20-6-3/h4-12H2,1-3H3
InChIKeyUOLDWBSOAZMUCO-UHFFFAOYSA-N
MW328.45 g/mol
LogP4.34
Rot. Bonds8

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

1,1,2-triethoxy-2-(3,3,3-trifluoropropyl)silinane (PubChem CID 174600475) has the molecular formula C14H27F3O3Si and a molecular weight of 328.45 g/mol. Its IUPAC name is 1,1,2-triethoxy-2-(3,3,3-trifluoropropyl)silinane.

Molecular Properties

Compound Name1,1,2-triethoxy-2-(3,3,3-trifluoropropyl)silinane
PubChem CID174600475
Molecular FormulaC14H27F3O3Si
Molecular Weight328.45 g/mol
Exact Mass328.17
IUPAC Name1,1,2-triethoxy-2-(3,3,3-trifluoropropyl)silinane
SMILESCCOC1(CCC(F)(F)F)CCCC[Si]1(OCC)OCC
InChIInChI=1S/C14H27F3O3Si/c1-4-18-13(10-11-14(15,16)17)9-7-8-12-21(13,19-5-2)20-6-3/h4-12H2,1-3H3
InChIKeyUOLDWBSOAZMUCO-UHFFFAOYSA-N
XLogP4.34
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 54.34
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-(3,3,3-trifluoropropyl)silinane?
The IUPAC name of 1,1,2-triethoxy-2-(3,3,3-trifluoropropyl)silinane (CID 174600475) is 1,1,2-triethoxy-2-(3,3,3-trifluoropropyl)silinane.
What is the SMILES notation for 1,1,2-triethoxy-2-(3,3,3-trifluoropropyl)silinane?
The canonical SMILES for 1,1,2-triethoxy-2-(3,3,3-trifluoropropyl)silinane is CCOC1(CCC(F)(F)F)CCCC[Si]1(OCC)OCC.
What is the InChIKey of 1,1,2-triethoxy-2-(3,3,3-trifluoropropyl)silinane?
The InChIKey is UOLDWBSOAZMUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3O3Si/c1-4-18-13(10-11-14(15,16)17)9-7-8-12-21(13,19-5-2)20-6-3/h4-12H2,1-3H3.
What are the key properties of 1,1,2-triethoxy-2-(3,3,3-trifluoropropyl)silinane?
1,1,2-triethoxy-2-(3,3,3-trifluoropropyl)silinane has a molecular weight of 328.45 g/mol, XLogP of 4.34, 8 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-(3,3,3-trifluoropropyl)silinane is sourced from PubChem (CID 174600475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).