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

C14H27F3O3Si — CID 174600477

IUPAC1,1,2-triethoxy-3-ethyl-2-(trifluoromethyl)silinane
SMILESCCOC1(C(F)(F)F)C(CC)CCC[Si]1(OCC)OCC
InChIInChI=1S/C14H27F3O3Si/c1-5-12-10-9-11-21(19-7-3,20-8-4)13(12,18-6-2)14(15,16)17/h12H,5-11H2,1-4H3
InChIKeyRCLWKQPBRZJWKM-UHFFFAOYSA-N
MW328.45 g/mol
LogP4.20
Rot. Bonds7

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

1,1,2-triethoxy-3-ethyl-2-(trifluoromethyl)silinane (PubChem CID 174600477) has the molecular formula C14H27F3O3Si and a molecular weight of 328.45 g/mol. Its IUPAC name is 1,1,2-triethoxy-3-ethyl-2-(trifluoromethyl)silinane.

Molecular Properties

Compound Name1,1,2-triethoxy-3-ethyl-2-(trifluoromethyl)silinane
PubChem CID174600477
Molecular FormulaC14H27F3O3Si
Molecular Weight328.45 g/mol
Exact Mass328.17
IUPAC Name1,1,2-triethoxy-3-ethyl-2-(trifluoromethyl)silinane
SMILESCCOC1(C(F)(F)F)C(CC)CCC[Si]1(OCC)OCC
InChIInChI=1S/C14H27F3O3Si/c1-5-12-10-9-11-21(19-7-3,20-8-4)13(12,18-6-2)14(15,16)17/h12H,5-11H2,1-4H3
InChIKeyRCLWKQPBRZJWKM-UHFFFAOYSA-N
XLogP4.20
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 54.20
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-ethyl-2-(trifluoromethyl)silinane?
The IUPAC name of 1,1,2-triethoxy-3-ethyl-2-(trifluoromethyl)silinane (CID 174600477) is 1,1,2-triethoxy-3-ethyl-2-(trifluoromethyl)silinane.
What is the SMILES notation for 1,1,2-triethoxy-3-ethyl-2-(trifluoromethyl)silinane?
The canonical SMILES for 1,1,2-triethoxy-3-ethyl-2-(trifluoromethyl)silinane is CCOC1(C(F)(F)F)C(CC)CCC[Si]1(OCC)OCC.
What is the InChIKey of 1,1,2-triethoxy-3-ethyl-2-(trifluoromethyl)silinane?
The InChIKey is RCLWKQPBRZJWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3O3Si/c1-5-12-10-9-11-21(19-7-3,20-8-4)13(12,18-6-2)14(15,16)17/h12H,5-11H2,1-4H3.
What are the key properties of 1,1,2-triethoxy-3-ethyl-2-(trifluoromethyl)silinane?
1,1,2-triethoxy-3-ethyl-2-(trifluoromethyl)silinane has a molecular weight of 328.45 g/mol, XLogP of 4.20, 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-3-ethyl-2-(trifluoromethyl)silinane is sourced from PubChem (CID 174600477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).