[dibutyl(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate

C10H18F6O6S2Sn — CID 16684465

IUPAC[dibutyl(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate
SMILESCCCC[Sn](CCCC)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F
InChIInChI=1S/2C4H9.2CHF3O3S.Sn/c2*1-3-4-2;2*2-1(3,4)8(5,6)7;/h2*1,3-4H2,2H3;2*(H,5,6,7);/q;;;;+2/p-2
InChIKeyDBIMSKIDWWYXJV-UHFFFAOYSA-L
MW531.08 g/mol
LogP3.76
Rot. Bonds10

About [dibutyl(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate

[dibutyl(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate (PubChem CID 16684465) has the molecular formula C10H18F6O6S2Sn and a molecular weight of 531.08 g/mol. Its IUPAC name is [dibutyl(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[dibutyl(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate
PubChem CID16684465
Molecular FormulaC10H18F6O6S2Sn
Molecular Weight531.08 g/mol
Exact Mass531.95
IUPAC Name[dibutyl(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate
SMILESCCCC[Sn](CCCC)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F
InChIInChI=1S/2C4H9.2CHF3O3S.Sn/c2*1-3-4-2;2*2-1(3,4)8(5,6)7;/h2*1,3-4H2,2H3;2*(H,5,6,7);/q;;;;+2/p-2
InChIKeyDBIMSKIDWWYXJV-UHFFFAOYSA-L
XLogP3.76
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.08
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [dibutyl(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate?
The IUPAC name of [dibutyl(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate (CID 16684465) is [dibutyl(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate.
What is the SMILES notation for [dibutyl(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate?
The canonical SMILES for [dibutyl(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate is CCCC[Sn](CCCC)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F.
What is the InChIKey of [dibutyl(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate?
The InChIKey is DBIMSKIDWWYXJV-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H9.2CHF3O3S.Sn/c2*1-3-4-2;2*2-1(3,4)8(5,6)7;/h2*1,3-4H2,2H3;2*(H,5,6,7);/q;;;;+2/p-2.
What are the key properties of [dibutyl(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate?
[dibutyl(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate has a molecular weight of 531.08 g/mol, XLogP of 3.76, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [dibutyl(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate is sourced from PubChem (CID 16684465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).