Silyl phenyl triflate

C7H4F3O3SSi — CID 162534336

IUPAC—
SMILESO=S(=O)(Oc1ccccc1[Si])C(F)(F)F
InChIInChI=1S/C7H4F3O3SSi/c8-7(9,10)14(11,12)13-5-3-1-2-4-6(5)15/h1-4H
InChIKeyVEHGDLRJZQHUQF-UHFFFAOYSA-N
MW253.25 g/mol
LogP0.71
Rot. Bonds2

About Silyl phenyl triflate

Silyl phenyl triflate (PubChem CID 162534336) has the molecular formula C7H4F3O3SSi and a molecular weight of 253.25 g/mol.

Molecular Properties

Compound NameSilyl phenyl triflate
PubChem CID162534336
Molecular FormulaC7H4F3O3SSi
Molecular Weight253.25 g/mol
Exact Mass252.96
IUPAC Name—
SMILESO=S(=O)(Oc1ccccc1[Si])C(F)(F)F
InChIInChI=1S/C7H4F3O3SSi/c8-7(9,10)14(11,12)13-5-3-1-2-4-6(5)15/h1-4H
InChIKeyVEHGDLRJZQHUQF-UHFFFAOYSA-N
XLogP0.71
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 50.71
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'}

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Frequently Asked Questions

What is the IUPAC name of Silyl phenyl triflate?
The IUPAC name of Silyl phenyl triflate (CID 162534336) is not available.
What is the SMILES notation for Silyl phenyl triflate?
The canonical SMILES for Silyl phenyl triflate is O=S(=O)(Oc1ccccc1[Si])C(F)(F)F.
What is the InChIKey of Silyl phenyl triflate?
The InChIKey is VEHGDLRJZQHUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3O3SSi/c8-7(9,10)14(11,12)13-5-3-1-2-4-6(5)15/h1-4H.
What are the key properties of Silyl phenyl triflate?
Silyl phenyl triflate has a molecular weight of 253.25 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Silyl phenyl triflate is sourced from PubChem (CID 162534336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).