[dimethyl(phenyl)silyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate

C12H11F9O3SSi — CID 15666297

IUPAC[dimethyl(phenyl)silyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
SMILESC[Si](C)(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C12H11F9O3SSi/c1-26(2,8-6-4-3-5-7-8)24-25(22,23)12(20,21)10(15,16)9(13,14)11(17,18)19/h3-7H,1-2H3
InChIKeyVYCDBRCNDRRYET-UHFFFAOYSA-N
MW434.35 g/mol
LogP3.87
Rot. Bonds6

About [dimethyl(phenyl)silyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate

[dimethyl(phenyl)silyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate (PubChem CID 15666297) has the molecular formula C12H11F9O3SSi and a molecular weight of 434.35 g/mol. Its IUPAC name is [dimethyl(phenyl)silyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate.

Molecular Properties

Compound Name[dimethyl(phenyl)silyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
PubChem CID15666297
Molecular FormulaC12H11F9O3SSi
Molecular Weight434.35 g/mol
Exact Mass434.01
IUPAC Name[dimethyl(phenyl)silyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
SMILESC[Si](C)(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C12H11F9O3SSi/c1-26(2,8-6-4-3-5-7-8)24-25(22,23)12(20,21)10(15,16)9(13,14)11(17,18)19/h3-7H,1-2H3
InChIKeyVYCDBRCNDRRYET-UHFFFAOYSA-N
XLogP3.87
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.35
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [dimethyl(phenyl)silyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate?
The IUPAC name of [dimethyl(phenyl)silyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate (CID 15666297) is [dimethyl(phenyl)silyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate.
What is the SMILES notation for [dimethyl(phenyl)silyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate?
The canonical SMILES for [dimethyl(phenyl)silyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate is C[Si](C)(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccccc1.
What is the InChIKey of [dimethyl(phenyl)silyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate?
The InChIKey is VYCDBRCNDRRYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F9O3SSi/c1-26(2,8-6-4-3-5-7-8)24-25(22,23)12(20,21)10(15,16)9(13,14)11(17,18)19/h3-7H,1-2H3.
What are the key properties of [dimethyl(phenyl)silyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate?
[dimethyl(phenyl)silyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate has a molecular weight of 434.35 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl(phenyl)silyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate is sourced from PubChem (CID 15666297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).