oxygen(2-);bis(trifluoromethanesulfonate);zirconium(4+)

C2F6O7S2Zr — CID 24866233

IUPACoxygen(2-);bis(trifluoromethanesulfonate);zirconium(4+)
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[O-2].[Zr+4]
InChIInChI=1S/2CHF3O3S.O.Zr/c2*2-1(3,4)8(5,6)7;;/h2*(H,5,6,7);;/q;;-2;+4/p-2
InChIKeyIQUKZFYOIGJAHY-UHFFFAOYSA-L
MW405.36 g/mol
LogP-0.02
Rot. Bonds

About oxygen(2-);bis(trifluoromethanesulfonate);zirconium(4+)

oxygen(2-);bis(trifluoromethanesulfonate);zirconium(4+) (PubChem CID 24866233) has the molecular formula C2F6O7S2Zr and a molecular weight of 405.36 g/mol. Its IUPAC name is oxygen(2-);bis(trifluoromethanesulfonate);zirconium(4+).

Molecular Properties

Compound Nameoxygen(2-);bis(trifluoromethanesulfonate);zirconium(4+)
PubChem CID24866233
Molecular FormulaC2F6O7S2Zr
Molecular Weight405.36 g/mol
Exact Mass403.80
IUPAC Nameoxygen(2-);bis(trifluoromethanesulfonate);zirconium(4+)
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[O-2].[Zr+4]
InChIInChI=1S/2CHF3O3S.O.Zr/c2*2-1(3,4)8(5,6)7;;/h2*(H,5,6,7);;/q;;-2;+4/p-2
InChIKeyIQUKZFYOIGJAHY-UHFFFAOYSA-L
XLogP-0.02
TPSA142.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.36
LogP ≤ 5-0.02
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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Frequently Asked Questions

What is the IUPAC name of oxygen(2-);bis(trifluoromethanesulfonate);zirconium(4+)?
The IUPAC name of oxygen(2-);bis(trifluoromethanesulfonate);zirconium(4+) (CID 24866233) is oxygen(2-);bis(trifluoromethanesulfonate);zirconium(4+).
What is the SMILES notation for oxygen(2-);bis(trifluoromethanesulfonate);zirconium(4+)?
The canonical SMILES for oxygen(2-);bis(trifluoromethanesulfonate);zirconium(4+) is O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[O-2].[Zr+4].
What is the InChIKey of oxygen(2-);bis(trifluoromethanesulfonate);zirconium(4+)?
The InChIKey is IQUKZFYOIGJAHY-UHFFFAOYSA-L. The full InChI is InChI=1S/2CHF3O3S.O.Zr/c2*2-1(3,4)8(5,6)7;;/h2*(H,5,6,7);;/q;;-2;+4/p-2.
What are the key properties of oxygen(2-);bis(trifluoromethanesulfonate);zirconium(4+)?
oxygen(2-);bis(trifluoromethanesulfonate);zirconium(4+) has a molecular weight of 405.36 g/mol, XLogP of -0.02, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxygen(2-);bis(trifluoromethanesulfonate);zirconium(4+) is sourced from PubChem (CID 24866233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).