(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl) trimethylsilyl sulfate

C7H12F6O4SSi — CID 15212633

IUPAC(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl) trimethylsilyl sulfate
SMILESCC(OS(=O)(=O)O[Si](C)(C)C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H12F6O4SSi/c1-5(6(8,9)10,7(11,12)13)16-18(14,15)17-19(2,3)4/h1-4H3
InChIKeyUEVOCPHPYSPPSJ-UHFFFAOYSA-N
MW334.31 g/mol
LogP2.98
Rot. Bonds4

About (1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl) trimethylsilyl sulfate

(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl) trimethylsilyl sulfate (PubChem CID 15212633) has the molecular formula C7H12F6O4SSi and a molecular weight of 334.31 g/mol. Its IUPAC name is (1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl) trimethylsilyl sulfate.

Molecular Properties

Compound Name(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl) trimethylsilyl sulfate
PubChem CID15212633
Molecular FormulaC7H12F6O4SSi
Molecular Weight334.31 g/mol
Exact Mass334.01
IUPAC Name(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl) trimethylsilyl sulfate
SMILESCC(OS(=O)(=O)O[Si](C)(C)C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H12F6O4SSi/c1-5(6(8,9)10,7(11,12)13)16-18(14,15)17-19(2,3)4/h1-4H3
InChIKeyUEVOCPHPYSPPSJ-UHFFFAOYSA-N
XLogP2.98
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.31
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl) trimethylsilyl sulfate 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 (1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl) trimethylsilyl sulfate?
The IUPAC name of (1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl) trimethylsilyl sulfate (CID 15212633) is (1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl) trimethylsilyl sulfate.
What is the SMILES notation for (1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl) trimethylsilyl sulfate?
The canonical SMILES for (1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl) trimethylsilyl sulfate is CC(OS(=O)(=O)O[Si](C)(C)C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl) trimethylsilyl sulfate?
The InChIKey is UEVOCPHPYSPPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F6O4SSi/c1-5(6(8,9)10,7(11,12)13)16-18(14,15)17-19(2,3)4/h1-4H3.
What are the key properties of (1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl) trimethylsilyl sulfate?
(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl) trimethylsilyl sulfate has a molecular weight of 334.31 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl) trimethylsilyl sulfate is sourced from PubChem (CID 15212633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).