bis((Z)-3,3,4,4,5,5,5-heptafluoro-1-pyridin-2-ylpent-1-en-2-olate);palladium(2+)

C20H10F14N2O2Pd — CID 139136790

IUPACbis((Z)-3,3,4,4,5,5,5-heptafluoro-1-pyridin-2-ylpent-1-en-2-olate);palladium(2+)
SMILES[O-]/C(=C\c1ccccn1)C(F)(F)C(F)(F)C(F)(F)F.[O-]/C(=C\c1ccccn1)C(F)(F)C(F)(F)C(F)(F)F.[Pd+2]
InChIInChI=1S/2C10H6F7NO.Pd/c2*11-8(12,9(13,14)10(15,16)17)7(19)5-6-3-1-2-4-18-6;/h2*1-5,19H;/q;;+2/p-2/b2*7-5-;
InChIKeyOZSHXJPYTXJGMT-AGRVASMDSA-L
MW682.70 g/mol
LogP5.23
Rot. Bonds6

About bis((Z)-3,3,4,4,5,5,5-heptafluoro-1-pyridin-2-ylpent-1-en-2-olate);palladium(2+)

bis((Z)-3,3,4,4,5,5,5-heptafluoro-1-pyridin-2-ylpent-1-en-2-olate);palladium(2+) (PubChem CID 139136790) has the molecular formula C20H10F14N2O2Pd and a molecular weight of 682.70 g/mol. Its IUPAC name is bis((Z)-3,3,4,4,5,5,5-heptafluoro-1-pyridin-2-ylpent-1-en-2-olate);palladium(2+).

Molecular Properties

Compound Namebis((Z)-3,3,4,4,5,5,5-heptafluoro-1-pyridin-2-ylpent-1-en-2-olate);palladium(2+)
PubChem CID139136790
Molecular FormulaC20H10F14N2O2Pd
Molecular Weight682.70 g/mol
Exact Mass681.96
IUPAC Namebis((Z)-3,3,4,4,5,5,5-heptafluoro-1-pyridin-2-ylpent-1-en-2-olate);palladium(2+)
SMILES[O-]/C(=C\c1ccccn1)C(F)(F)C(F)(F)C(F)(F)F.[O-]/C(=C\c1ccccn1)C(F)(F)C(F)(F)C(F)(F)F.[Pd+2]
InChIInChI=1S/2C10H6F7NO.Pd/c2*11-8(12,9(13,14)10(15,16)17)7(19)5-6-3-1-2-4-18-6;/h2*1-5,19H;/q;;+2/p-2/b2*7-5-;
InChIKeyOZSHXJPYTXJGMT-AGRVASMDSA-L
XLogP5.23
TPSA71.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.70
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze bis((Z)-3,3,4,4,5,5,5-heptafluoro-1-pyridin-2-ylpent-1-en-2-olate);palladium(2+) with MolForge

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Related Compounds

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potassium N-hydroxy-1-pyridin-2-ylmethanimine oxide
CID 54599635

Frequently Asked Questions

What is the IUPAC name of bis((Z)-3,3,4,4,5,5,5-heptafluoro-1-pyridin-2-ylpent-1-en-2-olate);palladium(2+)?
The IUPAC name of bis((Z)-3,3,4,4,5,5,5-heptafluoro-1-pyridin-2-ylpent-1-en-2-olate);palladium(2+) (CID 139136790) is bis((Z)-3,3,4,4,5,5,5-heptafluoro-1-pyridin-2-ylpent-1-en-2-olate);palladium(2+).
What is the SMILES notation for bis((Z)-3,3,4,4,5,5,5-heptafluoro-1-pyridin-2-ylpent-1-en-2-olate);palladium(2+)?
The canonical SMILES for bis((Z)-3,3,4,4,5,5,5-heptafluoro-1-pyridin-2-ylpent-1-en-2-olate);palladium(2+) is [O-]/C(=C\c1ccccn1)C(F)(F)C(F)(F)C(F)(F)F.[O-]/C(=C\c1ccccn1)C(F)(F)C(F)(F)C(F)(F)F.[Pd+2].
What is the InChIKey of bis((Z)-3,3,4,4,5,5,5-heptafluoro-1-pyridin-2-ylpent-1-en-2-olate);palladium(2+)?
The InChIKey is OZSHXJPYTXJGMT-AGRVASMDSA-L. The full InChI is InChI=1S/2C10H6F7NO.Pd/c2*11-8(12,9(13,14)10(15,16)17)7(19)5-6-3-1-2-4-18-6;/h2*1-5,19H;/q;;+2/p-2/b2*7-5-;.
What are the key properties of bis((Z)-3,3,4,4,5,5,5-heptafluoro-1-pyridin-2-ylpent-1-en-2-olate);palladium(2+)?
bis((Z)-3,3,4,4,5,5,5-heptafluoro-1-pyridin-2-ylpent-1-en-2-olate);palladium(2+) has a molecular weight of 682.70 g/mol, XLogP of 5.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis((Z)-3,3,4,4,5,5,5-heptafluoro-1-pyridin-2-ylpent-1-en-2-olate);palladium(2+) is sourced from PubChem (CID 139136790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).