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

C10H2F12O4Pd — CID 6450336

IUPACbis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);palladium(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.[Pd+2]
InChIInChI=1S/2C5H2F6O2.Pd/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;/h2*1,12H;/q;;+2/p-2/b2*2-1-;
InChIKeyOVIDFVVPPRGPGR-PAMPIZDHSA-L
MW520.52 g/mol
LogP1.85
Rot. Bonds2

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

bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);palladium(2+) (PubChem CID 6450336) has the molecular formula C10H2F12O4Pd and a molecular weight of 520.52 g/mol. Its IUPAC name is bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);palladium(2+).

Molecular Properties

Compound Namebis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);palladium(2+)
PubChem CID6450336
Molecular FormulaC10H2F12O4Pd
Molecular Weight520.52 g/mol
Exact Mass519.88
IUPAC Namebis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);palladium(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.[Pd+2]
InChIInChI=1S/2C5H2F6O2.Pd/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;/h2*1,12H;/q;;+2/p-2/b2*2-1-;
InChIKeyOVIDFVVPPRGPGR-PAMPIZDHSA-L
XLogP1.85
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.52
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'}

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Frequently Asked Questions

What is the IUPAC name of bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);palladium(2+)?
The IUPAC name of bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);palladium(2+) (CID 6450336) is bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);palladium(2+).
What is the SMILES notation for bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);palladium(2+)?
The canonical SMILES for bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);palladium(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.[Pd+2].
What is the InChIKey of bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);palladium(2+)?
The InChIKey is OVIDFVVPPRGPGR-PAMPIZDHSA-L. The full InChI is InChI=1S/2C5H2F6O2.Pd/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);palladium(2+)?
bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);palladium(2+) has a molecular weight of 520.52 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);palladium(2+) is sourced from PubChem (CID 6450336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).