oxo-bis(trifluoromethylsulfonylperoxy)phosphanium

C2F6O9PS2+ — CID 87515389

IUPACoxo-bis(trifluoromethylsulfonylperoxy)phosphanium
SMILESO=[P+](OOS(=O)(=O)C(F)(F)F)OOS(=O)(=O)C(F)(F)F
InChIInChI=1S/C2F6O9PS2/c3-1(4,5)19(10,11)16-14-18(9)15-17-20(12,13)2(6,7)8/q+1
InChIKeyLLJOHIFIIAJRPX-UHFFFAOYSA-N
MW377.11 g/mol
LogP1.24
Rot. Bonds6

About oxo-bis(trifluoromethylsulfonylperoxy)phosphanium

oxo-bis(trifluoromethylsulfonylperoxy)phosphanium (PubChem CID 87515389) has the molecular formula C2F6O9PS2+ and a molecular weight of 377.11 g/mol. Its IUPAC name is oxo-bis(trifluoromethylsulfonylperoxy)phosphanium.

Molecular Properties

Compound Nameoxo-bis(trifluoromethylsulfonylperoxy)phosphanium
PubChem CID87515389
Molecular FormulaC2F6O9PS2+
Molecular Weight377.11 g/mol
Exact Mass376.86
IUPAC Nameoxo-bis(trifluoromethylsulfonylperoxy)phosphanium
SMILESO=[P+](OOS(=O)(=O)C(F)(F)F)OOS(=O)(=O)C(F)(F)F
InChIInChI=1S/C2F6O9PS2/c3-1(4,5)19(10,11)16-14-18(9)15-17-20(12,13)2(6,7)8/q+1
InChIKeyLLJOHIFIIAJRPX-UHFFFAOYSA-N
XLogP1.24
TPSA122.27 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.11
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxo-bis(trifluoromethylsulfonylperoxy)phosphanium?
The IUPAC name of oxo-bis(trifluoromethylsulfonylperoxy)phosphanium (CID 87515389) is oxo-bis(trifluoromethylsulfonylperoxy)phosphanium.
What is the SMILES notation for oxo-bis(trifluoromethylsulfonylperoxy)phosphanium?
The canonical SMILES for oxo-bis(trifluoromethylsulfonylperoxy)phosphanium is O=[P+](OOS(=O)(=O)C(F)(F)F)OOS(=O)(=O)C(F)(F)F.
What is the InChIKey of oxo-bis(trifluoromethylsulfonylperoxy)phosphanium?
The InChIKey is LLJOHIFIIAJRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2F6O9PS2/c3-1(4,5)19(10,11)16-14-18(9)15-17-20(12,13)2(6,7)8/q+1.
What are the key properties of oxo-bis(trifluoromethylsulfonylperoxy)phosphanium?
oxo-bis(trifluoromethylsulfonylperoxy)phosphanium has a molecular weight of 377.11 g/mol, XLogP of 1.24, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-bis(trifluoromethylsulfonylperoxy)phosphanium is sourced from PubChem (CID 87515389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).