copper;tetrakis(2,3,4,5,6-pentafluorophenolate);bis(triethylazanium)

C36H32CuF20N2O4 — CID 139130680

IUPACcopper;tetrakis(2,3,4,5,6-pentafluorophenolate);bis(triethylazanium)
SMILESCC[NH+](CC)CC.CC[NH+](CC)CC.[Cu+2].[O-]c1c(F)c(F)c(F)c(F)c1F.[O-]c1c(F)c(F)c(F)c(F)c1F.[O-]c1c(F)c(F)c(F)c(F)c1F.[O-]c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/4C6HF5O.2C6H15N.Cu/c4*7-1-2(8)4(10)6(12)5(11)3(1)9;2*1-4-7(5-2)6-3;/h4*12H;2*4-6H2,1-3H3;/q;;;;;;+2/p-2
InChIKeyLLHCGIVYXMIJNA-UHFFFAOYSA-L
MW1000.17 g/mol
LogP5.68
Rot. Bonds6

About copper;tetrakis(2,3,4,5,6-pentafluorophenolate);bis(triethylazanium)

copper;tetrakis(2,3,4,5,6-pentafluorophenolate);bis(triethylazanium) (PubChem CID 139130680) has the molecular formula C36H32CuF20N2O4 and a molecular weight of 1000.17 g/mol. Its IUPAC name is copper;tetrakis(2,3,4,5,6-pentafluorophenolate);bis(triethylazanium).

Molecular Properties

Compound Namecopper;tetrakis(2,3,4,5,6-pentafluorophenolate);bis(triethylazanium)
PubChem CID139130680
Molecular FormulaC36H32CuF20N2O4
Molecular Weight1000.17 g/mol
Exact Mass999.13
IUPAC Namecopper;tetrakis(2,3,4,5,6-pentafluorophenolate);bis(triethylazanium)
SMILESCC[NH+](CC)CC.CC[NH+](CC)CC.[Cu+2].[O-]c1c(F)c(F)c(F)c(F)c1F.[O-]c1c(F)c(F)c(F)c(F)c1F.[O-]c1c(F)c(F)c(F)c(F)c1F.[O-]c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/4C6HF5O.2C6H15N.Cu/c4*7-1-2(8)4(10)6(12)5(11)3(1)9;2*1-4-7(5-2)6-3;/h4*12H;2*4-6H2,1-3H3;/q;;;;;;+2/p-2
InChIKeyLLHCGIVYXMIJNA-UHFFFAOYSA-L
XLogP5.68
TPSA101.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001000.17
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of copper;tetrakis(2,3,4,5,6-pentafluorophenolate);bis(triethylazanium)?
The IUPAC name of copper;tetrakis(2,3,4,5,6-pentafluorophenolate);bis(triethylazanium) (CID 139130680) is copper;tetrakis(2,3,4,5,6-pentafluorophenolate);bis(triethylazanium).
What is the SMILES notation for copper;tetrakis(2,3,4,5,6-pentafluorophenolate);bis(triethylazanium)?
The canonical SMILES for copper;tetrakis(2,3,4,5,6-pentafluorophenolate);bis(triethylazanium) is CC[NH+](CC)CC.CC[NH+](CC)CC.[Cu+2].[O-]c1c(F)c(F)c(F)c(F)c1F.[O-]c1c(F)c(F)c(F)c(F)c1F.[O-]c1c(F)c(F)c(F)c(F)c1F.[O-]c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of copper;tetrakis(2,3,4,5,6-pentafluorophenolate);bis(triethylazanium)?
The InChIKey is LLHCGIVYXMIJNA-UHFFFAOYSA-L. The full InChI is InChI=1S/4C6HF5O.2C6H15N.Cu/c4*7-1-2(8)4(10)6(12)5(11)3(1)9;2*1-4-7(5-2)6-3;/h4*12H;2*4-6H2,1-3H3;/q;;;;;;+2/p-2.
What are the key properties of copper;tetrakis(2,3,4,5,6-pentafluorophenolate);bis(triethylazanium)?
copper;tetrakis(2,3,4,5,6-pentafluorophenolate);bis(triethylazanium) has a molecular weight of 1000.17 g/mol, XLogP of 5.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;tetrakis(2,3,4,5,6-pentafluorophenolate);bis(triethylazanium) is sourced from PubChem (CID 139130680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).