dibutyltin(2+);bis(trifluoromethanesulfonate)

C10H18F6O6S2Sn — CID 22506450

IUPACdibutyltin(2+);bis(trifluoromethanesulfonate)
SMILESCCCC[Sn+2]CCCC.O=S(=O)([O-])C(F)(F)F.O=S(=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
LogP3.23
Rot. Bonds6

About dibutyltin(2+);bis(trifluoromethanesulfonate)

dibutyltin(2+);bis(trifluoromethanesulfonate) (PubChem CID 22506450) has the molecular formula C10H18F6O6S2Sn and a molecular weight of 531.08 g/mol. Its IUPAC name is dibutyltin(2+);bis(trifluoromethanesulfonate).

Molecular Properties

Compound Namedibutyltin(2+);bis(trifluoromethanesulfonate)
PubChem CID22506450
Molecular FormulaC10H18F6O6S2Sn
Molecular Weight531.08 g/mol
Exact Mass531.95
IUPAC Namedibutyltin(2+);bis(trifluoromethanesulfonate)
SMILESCCCC[Sn+2]CCCC.O=S(=O)([O-])C(F)(F)F.O=S(=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
XLogP3.23
TPSA114.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.08
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dibutyltin(2+);bis(trifluoromethanesulfonate)?
The IUPAC name of dibutyltin(2+);bis(trifluoromethanesulfonate) (CID 22506450) is dibutyltin(2+);bis(trifluoromethanesulfonate).
What is the SMILES notation for dibutyltin(2+);bis(trifluoromethanesulfonate)?
The canonical SMILES for dibutyltin(2+);bis(trifluoromethanesulfonate) is CCCC[Sn+2]CCCC.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.
What is the InChIKey of dibutyltin(2+);bis(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 dibutyltin(2+);bis(trifluoromethanesulfonate)?
dibutyltin(2+);bis(trifluoromethanesulfonate) has a molecular weight of 531.08 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyltin(2+);bis(trifluoromethanesulfonate) is sourced from PubChem (CID 22506450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).