copper (Z)-1,1,1-trifluoro-4-[2-[[(Z)-5,5,5-trifluoro-4-oxidopent-3-en-2-ylidene]amino]propylimino]pent-2-en-2-olate

C13H14CuF6N2O2 — CID 6537109

IUPACcopper (Z)-1,1,1-trifluoro-4-[2-[[(Z)-5,5,5-trifluoro-4-oxidopent-3-en-2-ylidene]amino]propylimino]pent-2-en-2-olate
SMILESCC(/C=C(\[O-])C(F)(F)F)=N\CC(C)/N=C(C)/C=C(\[O-])C(F)(F)F.[Cu+2]
InChIInChI=1S/C13H16F6N2O2.Cu/c1-7(4-10(22)12(14,15)16)20-6-9(3)21-8(2)5-11(23)13(17,18)19;/h4-5,9,22-23H,6H2,1-3H3;/q;+2/p-2/b10-4-,11-5-,20-7+,21-8+;
InChIKeyGVWBRQYJDHUMJL-UCGFNCQOSA-L
MW407.80 g/mol
LogP1.91
Rot. Bonds5

About copper (Z)-1,1,1-trifluoro-4-[2-[[(Z)-5,5,5-trifluoro-4-oxidopent-3-en-2-ylidene]amino]propylimino]pent-2-en-2-olate

copper (Z)-1,1,1-trifluoro-4-[2-[[(Z)-5,5,5-trifluoro-4-oxidopent-3-en-2-ylidene]amino]propylimino]pent-2-en-2-olate (PubChem CID 6537109) has the molecular formula C13H14CuF6N2O2 and a molecular weight of 407.80 g/mol. Its IUPAC name is copper (Z)-1,1,1-trifluoro-4-[2-[[(Z)-5,5,5-trifluoro-4-oxidopent-3-en-2-ylidene]amino]propylimino]pent-2-en-2-olate.

Molecular Properties

Compound Namecopper (Z)-1,1,1-trifluoro-4-[2-[[(Z)-5,5,5-trifluoro-4-oxidopent-3-en-2-ylidene]amino]propylimino]pent-2-en-2-olate
PubChem CID6537109
Molecular FormulaC13H14CuF6N2O2
Molecular Weight407.80 g/mol
Exact Mass407.03
IUPAC Namecopper (Z)-1,1,1-trifluoro-4-[2-[[(Z)-5,5,5-trifluoro-4-oxidopent-3-en-2-ylidene]amino]propylimino]pent-2-en-2-olate
SMILESCC(/C=C(\[O-])C(F)(F)F)=N\CC(C)/N=C(C)/C=C(\[O-])C(F)(F)F.[Cu+2]
InChIInChI=1S/C13H16F6N2O2.Cu/c1-7(4-10(22)12(14,15)16)20-6-9(3)21-8(2)5-11(23)13(17,18)19;/h4-5,9,22-23H,6H2,1-3H3;/q;+2/p-2/b10-4-,11-5-,20-7+,21-8+;
InChIKeyGVWBRQYJDHUMJL-UCGFNCQOSA-L
XLogP1.91
TPSA70.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.80
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze copper (Z)-1,1,1-trifluoro-4-[2-[[(Z)-5,5,5-trifluoro-4-oxidopent-3-en-2-ylidene]amino]propylimino]pent-2-en-2-olate with MolForge

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Frequently Asked Questions

What is the IUPAC name of copper (Z)-1,1,1-trifluoro-4-[2-[[(Z)-5,5,5-trifluoro-4-oxidopent-3-en-2-ylidene]amino]propylimino]pent-2-en-2-olate?
The IUPAC name of copper (Z)-1,1,1-trifluoro-4-[2-[[(Z)-5,5,5-trifluoro-4-oxidopent-3-en-2-ylidene]amino]propylimino]pent-2-en-2-olate (CID 6537109) is copper (Z)-1,1,1-trifluoro-4-[2-[[(Z)-5,5,5-trifluoro-4-oxidopent-3-en-2-ylidene]amino]propylimino]pent-2-en-2-olate.
What is the SMILES notation for copper (Z)-1,1,1-trifluoro-4-[2-[[(Z)-5,5,5-trifluoro-4-oxidopent-3-en-2-ylidene]amino]propylimino]pent-2-en-2-olate?
The canonical SMILES for copper (Z)-1,1,1-trifluoro-4-[2-[[(Z)-5,5,5-trifluoro-4-oxidopent-3-en-2-ylidene]amino]propylimino]pent-2-en-2-olate is CC(/C=C(\[O-])C(F)(F)F)=N\CC(C)/N=C(C)/C=C(\[O-])C(F)(F)F.[Cu+2].
What is the InChIKey of copper (Z)-1,1,1-trifluoro-4-[2-[[(Z)-5,5,5-trifluoro-4-oxidopent-3-en-2-ylidene]amino]propylimino]pent-2-en-2-olate?
The InChIKey is GVWBRQYJDHUMJL-UCGFNCQOSA-L. The full InChI is InChI=1S/C13H16F6N2O2.Cu/c1-7(4-10(22)12(14,15)16)20-6-9(3)21-8(2)5-11(23)13(17,18)19;/h4-5,9,22-23H,6H2,1-3H3;/q;+2/p-2/b10-4-,11-5-,20-7+,21-8+;.
What are the key properties of copper (Z)-1,1,1-trifluoro-4-[2-[[(Z)-5,5,5-trifluoro-4-oxidopent-3-en-2-ylidene]amino]propylimino]pent-2-en-2-olate?
copper (Z)-1,1,1-trifluoro-4-[2-[[(Z)-5,5,5-trifluoro-4-oxidopent-3-en-2-ylidene]amino]propylimino]pent-2-en-2-olate has a molecular weight of 407.80 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper (Z)-1,1,1-trifluoro-4-[2-[[(Z)-5,5,5-trifluoro-4-oxidopent-3-en-2-ylidene]amino]propylimino]pent-2-en-2-olate is sourced from PubChem (CID 6537109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).