triethylsilylmethyl trifluoromethanesulfonate

C8H17F3O3SSi — CID 71320287

IUPACtriethylsilylmethyl trifluoromethanesulfonate
SMILESCC[Si](CC)(CC)COS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H17F3O3SSi/c1-4-16(5-2,6-3)7-14-15(12,13)8(9,10)11/h4-7H2,1-3H3
InChIKeyLPJFGNCATYPWNE-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.90
Rot. Bonds6

About triethylsilylmethyl trifluoromethanesulfonate

triethylsilylmethyl trifluoromethanesulfonate (PubChem CID 71320287) has the molecular formula C8H17F3O3SSi and a molecular weight of 278.37 g/mol. Its IUPAC name is triethylsilylmethyl trifluoromethanesulfonate.

Molecular Properties

Compound Nametriethylsilylmethyl trifluoromethanesulfonate
PubChem CID71320287
Molecular FormulaC8H17F3O3SSi
Molecular Weight278.37 g/mol
Exact Mass278.06
IUPAC Nametriethylsilylmethyl trifluoromethanesulfonate
SMILESCC[Si](CC)(CC)COS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H17F3O3SSi/c1-4-16(5-2,6-3)7-14-15(12,13)8(9,10)11/h4-7H2,1-3H3
InChIKeyLPJFGNCATYPWNE-UHFFFAOYSA-N
XLogP2.90
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze triethylsilylmethyl trifluoromethanesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of triethylsilylmethyl trifluoromethanesulfonate?
The IUPAC name of triethylsilylmethyl trifluoromethanesulfonate (CID 71320287) is triethylsilylmethyl trifluoromethanesulfonate.
What is the SMILES notation for triethylsilylmethyl trifluoromethanesulfonate?
The canonical SMILES for triethylsilylmethyl trifluoromethanesulfonate is CC[Si](CC)(CC)COS(=O)(=O)C(F)(F)F.
What is the InChIKey of triethylsilylmethyl trifluoromethanesulfonate?
The InChIKey is LPJFGNCATYPWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3O3SSi/c1-4-16(5-2,6-3)7-14-15(12,13)8(9,10)11/h4-7H2,1-3H3.
What are the key properties of triethylsilylmethyl trifluoromethanesulfonate?
triethylsilylmethyl trifluoromethanesulfonate has a molecular weight of 278.37 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethylsilylmethyl trifluoromethanesulfonate is sourced from PubChem (CID 71320287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).