copper;bis(trifluoromethanesulfonate);trihydrate

C2H6CuF6O9S2 — CID 140682148

IUPACcopper;bis(trifluoromethanesulfonate);trihydrate
SMILESO.O.O.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cu+2]
InChIInChI=1S/2CHF3O3S.Cu.3H2O/c2*2-1(3,4)8(5,6)7;;;;/h2*(H,5,6,7);;3*1H2/q;;+2;;;/p-2
InChIKeyODMADFYWZAWQHO-UHFFFAOYSA-L
MW415.73 g/mol
LogP-2.37
Rot. Bonds

About copper;bis(trifluoromethanesulfonate);trihydrate

copper;bis(trifluoromethanesulfonate);trihydrate (PubChem CID 140682148) has the molecular formula C2H6CuF6O9S2 and a molecular weight of 415.73 g/mol. Its IUPAC name is copper;bis(trifluoromethanesulfonate);trihydrate.

Molecular Properties

Compound Namecopper;bis(trifluoromethanesulfonate);trihydrate
PubChem CID140682148
Molecular FormulaC2H6CuF6O9S2
Molecular Weight415.73 g/mol
Exact Mass414.87
IUPAC Namecopper;bis(trifluoromethanesulfonate);trihydrate
SMILESO.O.O.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cu+2]
InChIInChI=1S/2CHF3O3S.Cu.3H2O/c2*2-1(3,4)8(5,6)7;;;;/h2*(H,5,6,7);;3*1H2/q;;+2;;;/p-2
InChIKeyODMADFYWZAWQHO-UHFFFAOYSA-L
XLogP-2.37
TPSA208.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.73
LogP ≤ 5-2.37
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;bis(trifluoromethanesulfonate);trihydrate?
The IUPAC name of copper;bis(trifluoromethanesulfonate);trihydrate (CID 140682148) is copper;bis(trifluoromethanesulfonate);trihydrate.
What is the SMILES notation for copper;bis(trifluoromethanesulfonate);trihydrate?
The canonical SMILES for copper;bis(trifluoromethanesulfonate);trihydrate is O.O.O.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cu+2].
What is the InChIKey of copper;bis(trifluoromethanesulfonate);trihydrate?
The InChIKey is ODMADFYWZAWQHO-UHFFFAOYSA-L. The full InChI is InChI=1S/2CHF3O3S.Cu.3H2O/c2*2-1(3,4)8(5,6)7;;;;/h2*(H,5,6,7);;3*1H2/q;;+2;;;/p-2.
What are the key properties of copper;bis(trifluoromethanesulfonate);trihydrate?
copper;bis(trifluoromethanesulfonate);trihydrate has a molecular weight of 415.73 g/mol, XLogP of -2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(trifluoromethanesulfonate);trihydrate is sourced from PubChem (CID 140682148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).