[butyl-bis(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate

C7H9F9O9S3Sn — CID 141297781

IUPAC[butyl-bis(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate
SMILESCCCC[Sn](OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H9.3CHF3O3S.Sn/c1-3-4-2;3*2-1(3,4)8(5,6)7;/h1,3-4H2,2H3;3*(H,5,6,7);/q;;;;+3/p-3
InChIKeyUPEZCHGGJBAQMW-UHFFFAOYSA-K
MW623.03 g/mol
LogP2.32
Rot. Bonds9

About [butyl-bis(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate

[butyl-bis(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate (PubChem CID 141297781) has the molecular formula C7H9F9O9S3Sn and a molecular weight of 623.03 g/mol. Its IUPAC name is [butyl-bis(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[butyl-bis(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate
PubChem CID141297781
Molecular FormulaC7H9F9O9S3Sn
Molecular Weight623.03 g/mol
Exact Mass623.83
IUPAC Name[butyl-bis(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate
SMILESCCCC[Sn](OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H9.3CHF3O3S.Sn/c1-3-4-2;3*2-1(3,4)8(5,6)7;/h1,3-4H2,2H3;3*(H,5,6,7);/q;;;;+3/p-3
InChIKeyUPEZCHGGJBAQMW-UHFFFAOYSA-K
XLogP2.32
TPSA130.11 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500623.03
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [butyl-bis(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate?
The IUPAC name of [butyl-bis(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate (CID 141297781) is [butyl-bis(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate.
What is the SMILES notation for [butyl-bis(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate?
The canonical SMILES for [butyl-bis(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate is CCCC[Sn](OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F.
What is the InChIKey of [butyl-bis(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate?
The InChIKey is UPEZCHGGJBAQMW-UHFFFAOYSA-K. The full InChI is InChI=1S/C4H9.3CHF3O3S.Sn/c1-3-4-2;3*2-1(3,4)8(5,6)7;/h1,3-4H2,2H3;3*(H,5,6,7);/q;;;;+3/p-3.
What are the key properties of [butyl-bis(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate?
[butyl-bis(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate has a molecular weight of 623.03 g/mol, XLogP of 2.32, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [butyl-bis(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate is sourced from PubChem (CID 141297781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).