copper;N,N'-diethylethane-1,2-diamine;bis(trifluoromethanesulfonate)

C8H16CuF6N2O6S2 — CID 173220200

IUPACcopper;N,N'-diethylethane-1,2-diamine;bis(trifluoromethanesulfonate)
SMILESCCNCCNCC.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cu+2]
InChIInChI=1S/C6H16N2.2CHF3O3S.Cu/c1-3-7-5-6-8-4-2;2*2-1(3,4)8(5,6)7;/h7-8H,3-6H2,1-2H3;2*(H,5,6,7);/q;;;+2/p-2
InChIKeyCLQAFZGLJMSENC-UHFFFAOYSA-L
MW477.89 g/mol
LogP0.31
Rot. Bonds5

About copper;N,N'-diethylethane-1,2-diamine;bis(trifluoromethanesulfonate)

copper;N,N'-diethylethane-1,2-diamine;bis(trifluoromethanesulfonate) (PubChem CID 173220200) has the molecular formula C8H16CuF6N2O6S2 and a molecular weight of 477.89 g/mol. Its IUPAC name is copper;N,N'-diethylethane-1,2-diamine;bis(trifluoromethanesulfonate).

Molecular Properties

Compound Namecopper;N,N'-diethylethane-1,2-diamine;bis(trifluoromethanesulfonate)
PubChem CID173220200
Molecular FormulaC8H16CuF6N2O6S2
Molecular Weight477.89 g/mol
Exact Mass476.96
IUPAC Namecopper;N,N'-diethylethane-1,2-diamine;bis(trifluoromethanesulfonate)
SMILESCCNCCNCC.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cu+2]
InChIInChI=1S/C6H16N2.2CHF3O3S.Cu/c1-3-7-5-6-8-4-2;2*2-1(3,4)8(5,6)7;/h7-8H,3-6H2,1-2H3;2*(H,5,6,7);/q;;;+2/p-2
InChIKeyCLQAFZGLJMSENC-UHFFFAOYSA-L
XLogP0.31
TPSA138.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.89
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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;N,N'-diethylethane-1,2-diamine;bis(trifluoromethanesulfonate)?
The IUPAC name of copper;N,N'-diethylethane-1,2-diamine;bis(trifluoromethanesulfonate) (CID 173220200) is copper;N,N'-diethylethane-1,2-diamine;bis(trifluoromethanesulfonate).
What is the SMILES notation for copper;N,N'-diethylethane-1,2-diamine;bis(trifluoromethanesulfonate)?
The canonical SMILES for copper;N,N'-diethylethane-1,2-diamine;bis(trifluoromethanesulfonate) is CCNCCNCC.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cu+2].
What is the InChIKey of copper;N,N'-diethylethane-1,2-diamine;bis(trifluoromethanesulfonate)?
The InChIKey is CLQAFZGLJMSENC-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H16N2.2CHF3O3S.Cu/c1-3-7-5-6-8-4-2;2*2-1(3,4)8(5,6)7;/h7-8H,3-6H2,1-2H3;2*(H,5,6,7);/q;;;+2/p-2.
What are the key properties of copper;N,N'-diethylethane-1,2-diamine;bis(trifluoromethanesulfonate)?
copper;N,N'-diethylethane-1,2-diamine;bis(trifluoromethanesulfonate) has a molecular weight of 477.89 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;N,N'-diethylethane-1,2-diamine;bis(trifluoromethanesulfonate) is sourced from PubChem (CID 173220200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).