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

C6H12CuF6N2O6S2 — CID 173220308

IUPACcopper;N,N'-dimethylethane-1,2-diamine;bis(trifluoromethanesulfonate)
SMILESCNCCNC.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cu+2]
InChIInChI=1S/C4H12N2.2CHF3O3S.Cu/c1-5-3-4-6-2;2*2-1(3,4)8(5,6)7;/h5-6H,3-4H2,1-2H3;2*(H,5,6,7);/q;;;+2/p-2
InChIKeyPQWVDTBVBINQRJ-UHFFFAOYSA-L
MW449.84 g/mol
LogP-0.47
Rot. Bonds3

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

copper;N,N'-dimethylethane-1,2-diamine;bis(trifluoromethanesulfonate) (PubChem CID 173220308) has the molecular formula C6H12CuF6N2O6S2 and a molecular weight of 449.84 g/mol. Its IUPAC name is copper;N,N'-dimethylethane-1,2-diamine;bis(trifluoromethanesulfonate).

Molecular Properties

Compound Namecopper;N,N'-dimethylethane-1,2-diamine;bis(trifluoromethanesulfonate)
PubChem CID173220308
Molecular FormulaC6H12CuF6N2O6S2
Molecular Weight449.84 g/mol
Exact Mass448.93
IUPAC Namecopper;N,N'-dimethylethane-1,2-diamine;bis(trifluoromethanesulfonate)
SMILESCNCCNC.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cu+2]
InChIInChI=1S/C4H12N2.2CHF3O3S.Cu/c1-5-3-4-6-2;2*2-1(3,4)8(5,6)7;/h5-6H,3-4H2,1-2H3;2*(H,5,6,7);/q;;;+2/p-2
InChIKeyPQWVDTBVBINQRJ-UHFFFAOYSA-L
XLogP-0.47
TPSA138.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.84
LogP ≤ 5-0.47
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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Related Compounds

N,N-diethyl-N-methylammonium bis(trifluoromethanesulfonyl)imide
CID 129856499
1,1,1-trifluoro-N-[2-(methylamino)ethyl]methanesulfonamide
CID 62657412
1,1-difluoro-N-[2-(methylamino)ethyl]methanesulfonamide
CID 62658738
N-ethylethanamine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride
CID 118659626
1,1,2,2,3,3-hexafluoro-N-[2-(methylamino)ethyl]-N'-(trifluoromethylsulfonyl)propane-1,3-disulfonamide
CID 123385688
1,1-difluoro-N'-(trifluoromethylsulfonyl)-N-[2-(3,3,3-trifluoropropylamino)ethyl]methanedisulfonamide
CID 139545655
Bis(trifluoromethylsulfonyl)azanide;methyl(propyl)azanium
CID 141159440
Bis(trifluoromethylsulfonyl)azanide;ethyl(methyl)azanium
CID 141281438
2-Aminoethyl(trimethyl)azanium;bis(trifluoromethylsulfonyl)azanide
CID 159057881
2-Aminoethyl(trimethyl)azanium;azane;bis(trifluoromethanesulfinate)
CID 159087981
copper;N,N'-diethylethane-1,2-diamine;bis(trifluoromethanesulfonate)
CID 173220200
copper;N,N'-dibutylethane-1,2-diamine;bis(trifluoromethanesulfonate)
CID 173220446

Frequently Asked Questions

What is the IUPAC name of copper;N,N'-dimethylethane-1,2-diamine;bis(trifluoromethanesulfonate)?
The IUPAC name of copper;N,N'-dimethylethane-1,2-diamine;bis(trifluoromethanesulfonate) (CID 173220308) is copper;N,N'-dimethylethane-1,2-diamine;bis(trifluoromethanesulfonate).
What is the SMILES notation for copper;N,N'-dimethylethane-1,2-diamine;bis(trifluoromethanesulfonate)?
The canonical SMILES for copper;N,N'-dimethylethane-1,2-diamine;bis(trifluoromethanesulfonate) is CNCCNC.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'-dimethylethane-1,2-diamine;bis(trifluoromethanesulfonate)?
The InChIKey is PQWVDTBVBINQRJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H12N2.2CHF3O3S.Cu/c1-5-3-4-6-2;2*2-1(3,4)8(5,6)7;/h5-6H,3-4H2,1-2H3;2*(H,5,6,7);/q;;;+2/p-2.
What are the key properties of copper;N,N'-dimethylethane-1,2-diamine;bis(trifluoromethanesulfonate)?
copper;N,N'-dimethylethane-1,2-diamine;bis(trifluoromethanesulfonate) has a molecular weight of 449.84 g/mol, XLogP of -0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;N,N'-dimethylethane-1,2-diamine;bis(trifluoromethanesulfonate) is sourced from PubChem (CID 173220308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).