copper;benzene;bis(trifluoromethanesulfonate)

C8H6CuF6O6S2 — CID 6451834

IUPACcopper;benzene;bis(trifluoromethanesulfonate)
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cu+2].c1ccccc1
InChIInChI=1S/C6H6.2CHF3O3S.Cu/c1-2-4-6-5-3-1;2*2-1(3,4)8(5,6)7;/h1-6H;2*(H,5,6,7);/q;;;+2/p-2
InChIKeyDIMCZVTXAXZJCA-UHFFFAOYSA-L
MW439.80 g/mol
LogP1.79
Rot. Bonds

About copper;benzene;bis(trifluoromethanesulfonate)

copper;benzene;bis(trifluoromethanesulfonate) (PubChem CID 6451834) has the molecular formula C8H6CuF6O6S2 and a molecular weight of 439.80 g/mol. Its IUPAC name is copper;benzene;bis(trifluoromethanesulfonate).

Molecular Properties

Compound Namecopper;benzene;bis(trifluoromethanesulfonate)
PubChem CID6451834
Molecular FormulaC8H6CuF6O6S2
Molecular Weight439.80 g/mol
Exact Mass438.88
IUPAC Namecopper;benzene;bis(trifluoromethanesulfonate)
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cu+2].c1ccccc1
InChIInChI=1S/C6H6.2CHF3O3S.Cu/c1-2-4-6-5-3-1;2*2-1(3,4)8(5,6)7;/h1-6H;2*(H,5,6,7);/q;;;+2/p-2
InChIKeyDIMCZVTXAXZJCA-UHFFFAOYSA-L
XLogP1.79
TPSA114.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.80
LogP ≤ 51.79
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 copper;benzene;bis(trifluoromethanesulfonate)?
The IUPAC name of copper;benzene;bis(trifluoromethanesulfonate) (CID 6451834) is copper;benzene;bis(trifluoromethanesulfonate).
What is the SMILES notation for copper;benzene;bis(trifluoromethanesulfonate)?
The canonical SMILES for copper;benzene;bis(trifluoromethanesulfonate) is O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cu+2].c1ccccc1.
What is the InChIKey of copper;benzene;bis(trifluoromethanesulfonate)?
The InChIKey is DIMCZVTXAXZJCA-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H6.2CHF3O3S.Cu/c1-2-4-6-5-3-1;2*2-1(3,4)8(5,6)7;/h1-6H;2*(H,5,6,7);/q;;;+2/p-2.
What are the key properties of copper;benzene;bis(trifluoromethanesulfonate)?
copper;benzene;bis(trifluoromethanesulfonate) has a molecular weight of 439.80 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;benzene;bis(trifluoromethanesulfonate) is sourced from PubChem (CID 6451834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).