dibutyltin;bis(trifluoromethanesulfonic acid)

C10H20F6O6S2Sn — CID 2758053

IUPACdibutyltin;bis(trifluoromethanesulfonic acid)
SMILESCCCC[Sn]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);
InChIKeyBYLCCWUQONEPLJ-UHFFFAOYSA-N
MW533.10 g/mol
LogP3.92
Rot. Bonds6

About dibutyltin;bis(trifluoromethanesulfonic acid)

dibutyltin;bis(trifluoromethanesulfonic acid) (PubChem CID 2758053) has the molecular formula C10H20F6O6S2Sn and a molecular weight of 533.10 g/mol. Its IUPAC name is dibutyltin;bis(trifluoromethanesulfonic acid).

Molecular Properties

Compound Namedibutyltin;bis(trifluoromethanesulfonic acid)
PubChem CID2758053
Molecular FormulaC10H20F6O6S2Sn
Molecular Weight533.10 g/mol
Exact Mass533.96
IUPAC Namedibutyltin;bis(trifluoromethanesulfonic acid)
SMILESCCCC[Sn]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);
InChIKeyBYLCCWUQONEPLJ-UHFFFAOYSA-N
XLogP3.92
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.10
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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;bis(trifluoromethanesulfonic acid)?
The IUPAC name of dibutyltin;bis(trifluoromethanesulfonic acid) (CID 2758053) is dibutyltin;bis(trifluoromethanesulfonic acid).
What is the SMILES notation for dibutyltin;bis(trifluoromethanesulfonic acid)?
The canonical SMILES for dibutyltin;bis(trifluoromethanesulfonic acid) is CCCC[Sn]CCCC.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.
What is the InChIKey of dibutyltin;bis(trifluoromethanesulfonic acid)?
The InChIKey is BYLCCWUQONEPLJ-UHFFFAOYSA-N. 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);.
What are the key properties of dibutyltin;bis(trifluoromethanesulfonic acid)?
dibutyltin;bis(trifluoromethanesulfonic acid) has a molecular weight of 533.10 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyltin;bis(trifluoromethanesulfonic acid) is sourced from PubChem (CID 2758053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).