phenyl-(2-trimethylsilylphenyl)iodanium;trifluoromethanesulfonate

C16H18F3IO3SSi — CID 10885617

IUPACphenyl-(2-trimethylsilylphenyl)iodanium;trifluoromethanesulfonate
SMILESC[Si](C)(C)c1ccccc1[I+]c1ccccc1.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C15H18ISi.CHF3O3S/c1-17(2,3)15-12-8-7-11-14(15)16-13-9-5-4-6-10-13;2-1(3,4)8(5,6)7/h4-12H,1-3H3;(H,5,6,7)/q+1;/p-1
InChIKeyGSCTXOAWWNOUFK-UHFFFAOYSA-M
MW502.37 g/mol
LogP0.41
Rot. Bonds3

About phenyl-(2-trimethylsilylphenyl)iodanium;trifluoromethanesulfonate

phenyl-(2-trimethylsilylphenyl)iodanium;trifluoromethanesulfonate (PubChem CID 10885617) has the molecular formula C16H18F3IO3SSi and a molecular weight of 502.37 g/mol. Its IUPAC name is phenyl-(2-trimethylsilylphenyl)iodanium;trifluoromethanesulfonate.

Molecular Properties

Compound Namephenyl-(2-trimethylsilylphenyl)iodanium;trifluoromethanesulfonate
PubChem CID10885617
Molecular FormulaC16H18F3IO3SSi
Molecular Weight502.37 g/mol
Exact Mass501.97
IUPAC Namephenyl-(2-trimethylsilylphenyl)iodanium;trifluoromethanesulfonate
SMILESC[Si](C)(C)c1ccccc1[I+]c1ccccc1.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C15H18ISi.CHF3O3S/c1-17(2,3)15-12-8-7-11-14(15)16-13-9-5-4-6-10-13;2-1(3,4)8(5,6)7/h4-12H,1-3H3;(H,5,6,7)/q+1;/p-1
InChIKeyGSCTXOAWWNOUFK-UHFFFAOYSA-M
XLogP0.41
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.37
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenyl-(2-trimethylsilylphenyl)iodanium;trifluoromethanesulfonate?
The IUPAC name of phenyl-(2-trimethylsilylphenyl)iodanium;trifluoromethanesulfonate (CID 10885617) is phenyl-(2-trimethylsilylphenyl)iodanium;trifluoromethanesulfonate.
What is the SMILES notation for phenyl-(2-trimethylsilylphenyl)iodanium;trifluoromethanesulfonate?
The canonical SMILES for phenyl-(2-trimethylsilylphenyl)iodanium;trifluoromethanesulfonate is C[Si](C)(C)c1ccccc1[I+]c1ccccc1.O=S(=O)([O-])C(F)(F)F.
What is the InChIKey of phenyl-(2-trimethylsilylphenyl)iodanium;trifluoromethanesulfonate?
The InChIKey is GSCTXOAWWNOUFK-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H18ISi.CHF3O3S/c1-17(2,3)15-12-8-7-11-14(15)16-13-9-5-4-6-10-13;2-1(3,4)8(5,6)7/h4-12H,1-3H3;(H,5,6,7)/q+1;/p-1.
What are the key properties of phenyl-(2-trimethylsilylphenyl)iodanium;trifluoromethanesulfonate?
phenyl-(2-trimethylsilylphenyl)iodanium;trifluoromethanesulfonate has a molecular weight of 502.37 g/mol, XLogP of 0.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(2-trimethylsilylphenyl)iodanium;trifluoromethanesulfonate is sourced from PubChem (CID 10885617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).