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

C16H32CuF6N2O6S2 — CID 173220495

IUPACcopper;N,N,N',N'-tetrapropylethane-1,2-diamine;bis(trifluoromethanesulfonate)
SMILESCCCN(CCC)CCN(CCC)CCC.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cu+2]
InChIInChI=1S/C14H32N2.2CHF3O3S.Cu/c1-5-9-15(10-6-2)13-14-16(11-7-3)12-8-4;2*2-1(3,4)8(5,6)7;/h5-14H2,1-4H3;2*(H,5,6,7);/q;;;+2/p-2
InChIKeyHRXUVXYUBGYWFM-UHFFFAOYSA-L
MW590.11 g/mol
LogP3.33
Rot. Bonds11

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

copper;N,N,N',N'-tetrapropylethane-1,2-diamine;bis(trifluoromethanesulfonate) (PubChem CID 173220495) has the molecular formula C16H32CuF6N2O6S2 and a molecular weight of 590.11 g/mol. Its IUPAC name is copper;N,N,N',N'-tetrapropylethane-1,2-diamine;bis(trifluoromethanesulfonate).

Molecular Properties

Compound Namecopper;N,N,N',N'-tetrapropylethane-1,2-diamine;bis(trifluoromethanesulfonate)
PubChem CID173220495
Molecular FormulaC16H32CuF6N2O6S2
Molecular Weight590.11 g/mol
Exact Mass589.09
IUPAC Namecopper;N,N,N',N'-tetrapropylethane-1,2-diamine;bis(trifluoromethanesulfonate)
SMILESCCCN(CCC)CCN(CCC)CCC.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cu+2]
InChIInChI=1S/C14H32N2.2CHF3O3S.Cu/c1-5-9-15(10-6-2)13-14-16(11-7-3)12-8-4;2*2-1(3,4)8(5,6)7;/h5-14H2,1-4H3;2*(H,5,6,7);/q;;;+2/p-2
InChIKeyHRXUVXYUBGYWFM-UHFFFAOYSA-L
XLogP3.33
TPSA120.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500590.11
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

[dibutyl(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate
CID 102008285
copper;bis(trifluoromethanesulfonate);trihydrate
CID 140682148
copper;N,N,N',N'-tetrapropylethane-1,2-diamine;dibromide
CID 173220545
copper;N,N,N',N'-tetrapropylethane-1,2-diamine;dichloride
CID 173220390
N,N-dimethylmethanamine;silicon(4+);trifluoromethanesulfonate
CID 171924337
triethylphosphanium;trifluoromethanesulfonate
CID 158854651
ethylazanyliumylethane; trifluoromethanesulfonate
CID 53431550
pentakis(trifluoromethanesulfonate);vanadium
CID 140617079
CID 170997250
CID 170997250
dilithium;hydride;trifluoromethanesulfonate
CID 173362891
scandium(3+);bis(trifluoromethanesulfonate)
CID 135121751
dodecakis(cerium(3+));(trifluoromethanesulfonate)
CID 173221749

Frequently Asked Questions

What is the IUPAC name of copper;N,N,N',N'-tetrapropylethane-1,2-diamine;bis(trifluoromethanesulfonate)?
The IUPAC name of copper;N,N,N',N'-tetrapropylethane-1,2-diamine;bis(trifluoromethanesulfonate) (CID 173220495) is copper;N,N,N',N'-tetrapropylethane-1,2-diamine;bis(trifluoromethanesulfonate).
What is the SMILES notation for copper;N,N,N',N'-tetrapropylethane-1,2-diamine;bis(trifluoromethanesulfonate)?
The canonical SMILES for copper;N,N,N',N'-tetrapropylethane-1,2-diamine;bis(trifluoromethanesulfonate) is CCCN(CCC)CCN(CCC)CCC.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,N',N'-tetrapropylethane-1,2-diamine;bis(trifluoromethanesulfonate)?
The InChIKey is HRXUVXYUBGYWFM-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H32N2.2CHF3O3S.Cu/c1-5-9-15(10-6-2)13-14-16(11-7-3)12-8-4;2*2-1(3,4)8(5,6)7;/h5-14H2,1-4H3;2*(H,5,6,7);/q;;;+2/p-2.
What are the key properties of copper;N,N,N',N'-tetrapropylethane-1,2-diamine;bis(trifluoromethanesulfonate)?
copper;N,N,N',N'-tetrapropylethane-1,2-diamine;bis(trifluoromethanesulfonate) has a molecular weight of 590.11 g/mol, XLogP of 3.33, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;N,N,N',N'-tetrapropylethane-1,2-diamine;bis(trifluoromethanesulfonate) is sourced from PubChem (CID 173220495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).