cesium;hydride;(2-trimethylsilylphenyl) trifluoromethanesulfonate

C10H14CsF3O3SSi — CID 174845505

IUPACcesium;hydride;(2-trimethylsilylphenyl) trifluoromethanesulfonate
SMILESC[Si](C)(C)c1ccccc1OS(=O)(=O)C(F)(F)F.[Cs+].[H-]
InChIInChI=1S/C10H13F3O3SSi.Cs.H/c1-18(2,3)9-7-5-4-6-8(9)16-17(14,15)10(11,12)13;;/h4-7H,1-3H3;;/q;+1;-1
InChIKeyPWMWEHWTSDCOKT-UHFFFAOYSA-N
MW432.27 g/mol
LogP-0.42
Rot. Bonds3

About cesium;hydride;(2-trimethylsilylphenyl) trifluoromethanesulfonate

cesium;hydride;(2-trimethylsilylphenyl) trifluoromethanesulfonate (PubChem CID 174845505) has the molecular formula C10H14CsF3O3SSi and a molecular weight of 432.27 g/mol. Its IUPAC name is cesium;hydride;(2-trimethylsilylphenyl) trifluoromethanesulfonate.

Molecular Properties

Compound Namecesium;hydride;(2-trimethylsilylphenyl) trifluoromethanesulfonate
PubChem CID174845505
Molecular FormulaC10H14CsF3O3SSi
Molecular Weight432.27 g/mol
Exact Mass431.94
IUPAC Namecesium;hydride;(2-trimethylsilylphenyl) trifluoromethanesulfonate
SMILESC[Si](C)(C)c1ccccc1OS(=O)(=O)C(F)(F)F.[Cs+].[H-]
InChIInChI=1S/C10H13F3O3SSi.Cs.H/c1-18(2,3)9-7-5-4-6-8(9)16-17(14,15)10(11,12)13;;/h4-7H,1-3H3;;/q;+1;-1
InChIKeyPWMWEHWTSDCOKT-UHFFFAOYSA-N
XLogP-0.42
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.27
LogP ≤ 5-0.42
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 cesium;hydride;(2-trimethylsilylphenyl) trifluoromethanesulfonate?
The IUPAC name of cesium;hydride;(2-trimethylsilylphenyl) trifluoromethanesulfonate (CID 174845505) is cesium;hydride;(2-trimethylsilylphenyl) trifluoromethanesulfonate.
What is the SMILES notation for cesium;hydride;(2-trimethylsilylphenyl) trifluoromethanesulfonate?
The canonical SMILES for cesium;hydride;(2-trimethylsilylphenyl) trifluoromethanesulfonate is C[Si](C)(C)c1ccccc1OS(=O)(=O)C(F)(F)F.[Cs+].[H-].
What is the InChIKey of cesium;hydride;(2-trimethylsilylphenyl) trifluoromethanesulfonate?
The InChIKey is PWMWEHWTSDCOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3O3SSi.Cs.H/c1-18(2,3)9-7-5-4-6-8(9)16-17(14,15)10(11,12)13;;/h4-7H,1-3H3;;/q;+1;-1.
What are the key properties of cesium;hydride;(2-trimethylsilylphenyl) trifluoromethanesulfonate?
cesium;hydride;(2-trimethylsilylphenyl) trifluoromethanesulfonate has a molecular weight of 432.27 g/mol, XLogP of -0.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cesium;hydride;(2-trimethylsilylphenyl) trifluoromethanesulfonate is sourced from PubChem (CID 174845505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).