bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);nickel(2+)

C10H2F12NiO4 — CID 5483729

IUPACbis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);nickel(2+)
SMILESO=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.[Ni+2]
InChIInChI=1S/2C5H2F6O2.Ni/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;/h2*1,12H;/q;;+2/p-2/b2*2-1-;
InChIKeyYBMAWNCLJNNCMV-PAMPIZDHSA-L
MW472.79 g/mol
LogP1.85
Rot. Bonds2

About bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);nickel(2+)

bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);nickel(2+) (PubChem CID 5483729) has the molecular formula C10H2F12NiO4 and a molecular weight of 472.79 g/mol. Its IUPAC name is bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);nickel(2+).

Molecular Properties

Compound Namebis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);nickel(2+)
PubChem CID5483729
Molecular FormulaC10H2F12NiO4
Molecular Weight472.79 g/mol
Exact Mass471.91
IUPAC Namebis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);nickel(2+)
SMILESO=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.[Ni+2]
InChIInChI=1S/2C5H2F6O2.Ni/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;/h2*1,12H;/q;;+2/p-2/b2*2-1-;
InChIKeyYBMAWNCLJNNCMV-PAMPIZDHSA-L
XLogP1.85
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.79
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);nickel(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);nickel(2+)?
The IUPAC name of bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);nickel(2+) (CID 5483729) is bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);nickel(2+).
What is the SMILES notation for bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);nickel(2+)?
The canonical SMILES for bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);nickel(2+) is O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.[Ni+2].
What is the InChIKey of bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);nickel(2+)?
The InChIKey is YBMAWNCLJNNCMV-PAMPIZDHSA-L. The full InChI is InChI=1S/2C5H2F6O2.Ni/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;/h2*1,12H;/q;;+2/p-2/b2*2-1-;.
What are the key properties of bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);nickel(2+)?
bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);nickel(2+) has a molecular weight of 472.79 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);nickel(2+) is sourced from PubChem (CID 5483729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).