1,1,2-triethoxy-3-fluoro-2-methylsilinane

C12H25FO3Si — CID 175241484

IUPAC1,1,2-triethoxy-3-fluoro-2-methylsilinane
SMILESCCOC1(C)C(F)CCC[Si]1(OCC)OCC
InChIInChI=1S/C12H25FO3Si/c1-5-14-12(4)11(13)9-8-10-17(12,15-6-2)16-7-3/h11H,5-10H2,1-4H3
InChIKeyYWBOLGDHTGIXIK-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.97
Rot. Bonds6

About 1,1,2-triethoxy-3-fluoro-2-methylsilinane

1,1,2-triethoxy-3-fluoro-2-methylsilinane (PubChem CID 175241484) has the molecular formula C12H25FO3Si and a molecular weight of 264.41 g/mol. Its IUPAC name is 1,1,2-triethoxy-3-fluoro-2-methylsilinane.

Molecular Properties

Compound Name1,1,2-triethoxy-3-fluoro-2-methylsilinane
PubChem CID175241484
Molecular FormulaC12H25FO3Si
Molecular Weight264.41 g/mol
Exact Mass264.16
IUPAC Name1,1,2-triethoxy-3-fluoro-2-methylsilinane
SMILESCCOC1(C)C(F)CCC[Si]1(OCC)OCC
InChIInChI=1S/C12H25FO3Si/c1-5-14-12(4)11(13)9-8-10-17(12,15-6-2)16-7-3/h11H,5-10H2,1-4H3
InChIKeyYWBOLGDHTGIXIK-UHFFFAOYSA-N
XLogP2.97
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.97
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-3-fluoro-2-methylsilinane?
The IUPAC name of 1,1,2-triethoxy-3-fluoro-2-methylsilinane (CID 175241484) is 1,1,2-triethoxy-3-fluoro-2-methylsilinane.
What is the SMILES notation for 1,1,2-triethoxy-3-fluoro-2-methylsilinane?
The canonical SMILES for 1,1,2-triethoxy-3-fluoro-2-methylsilinane is CCOC1(C)C(F)CCC[Si]1(OCC)OCC.
What is the InChIKey of 1,1,2-triethoxy-3-fluoro-2-methylsilinane?
The InChIKey is YWBOLGDHTGIXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25FO3Si/c1-5-14-12(4)11(13)9-8-10-17(12,15-6-2)16-7-3/h11H,5-10H2,1-4H3.
What are the key properties of 1,1,2-triethoxy-3-fluoro-2-methylsilinane?
1,1,2-triethoxy-3-fluoro-2-methylsilinane has a molecular weight of 264.41 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-triethoxy-3-fluoro-2-methylsilinane is sourced from PubChem (CID 175241484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).