[dibutyl(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate

C10H18F6O6S2Sn — CID 102008285

IUPAC—
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[CH2]CCC.[CH2]CCC.[Sn+2]
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
LogP2.96
Rot. Bonds2

About [dibutyl(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate

[dibutyl(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate (PubChem CID 102008285) has the molecular formula C10H18F6O6S2Sn and a molecular weight of 531.08 g/mol.

Molecular Properties

Compound Name[dibutyl(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate
PubChem CID102008285
Molecular FormulaC10H18F6O6S2Sn
Molecular Weight531.08 g/mol
Exact Mass531.95
IUPAC Name—
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[CH2]CCC.[CH2]CCC.[Sn+2]
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
XLogP2.96
TPSA114.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.08
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

triethylphosphanium;trifluoromethanesulfonate
CID 158854651
ethylazanyliumylethane; trifluoromethanesulfonate
CID 53431550
pentakis(trifluoromethanesulfonate);vanadium
CID 140617079
scandium(3+);bis(trifluoromethanesulfonate)
CID 135121751
CID 170997250
CID 170997250
dodecakis(cerium(3+));(trifluoromethanesulfonate)
CID 173221749
dilithium;hydride;trifluoromethanesulfonate
CID 173362891
copper;N,N,N',N'-tetrapropylethane-1,2-diamine;bis(trifluoromethanesulfonate)
CID 173220495
trifluoromethanesulfonate;trimethylstannanylium
CID 119095664
dimethylalumanylium;trifluoromethanesulfonate
CID 16688558
scandium(3+);tris(trifluoromethanesulfonate);hydrate
CID 134128705
lanthanum(3+);trifluoromethanesulfonate;hydrate
CID 22625223

Frequently Asked Questions

What is the IUPAC name of [dibutyl(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate?
The IUPAC name of [dibutyl(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate (CID 102008285) is not available.
What is the SMILES notation for [dibutyl(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate?
The canonical SMILES for [dibutyl(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate is O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[CH2]CCC.[CH2]CCC.[Sn+2].
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 2.96, 2 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 102008285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).