copper;bis(1,1,1,5,5,5-hexafluoropentane-2,4-dione);pyridine

C15H7CuF12NO4 — CID 154702737

IUPACcopper;bis(1,1,1,5,5,5-hexafluoropentane-2,4-dione);pyridine
SMILESO=C([CH-]C(=O)C(F)(F)F)C(F)(F)F.O=C([CH-]C(=O)C(F)(F)F)C(F)(F)F.[Cu+2].c1ccncc1
InChIInChI=1S/2C5HF6O2.C5H5N.Cu/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;1-2-4-6-5-3-1;/h2*1H;1-5H;/q2*-1;;+2
InChIKeyJCCMCKFEDBOTMS-UHFFFAOYSA-N
MW556.75 g/mol
LogP3.99
Rot. Bonds4

About copper;bis(1,1,1,5,5,5-hexafluoropentane-2,4-dione);pyridine

copper;bis(1,1,1,5,5,5-hexafluoropentane-2,4-dione);pyridine (PubChem CID 154702737) has the molecular formula C15H7CuF12NO4 and a molecular weight of 556.75 g/mol. Its IUPAC name is copper;bis(1,1,1,5,5,5-hexafluoropentane-2,4-dione);pyridine.

Molecular Properties

Compound Namecopper;bis(1,1,1,5,5,5-hexafluoropentane-2,4-dione);pyridine
PubChem CID154702737
Molecular FormulaC15H7CuF12NO4
Molecular Weight556.75 g/mol
Exact Mass555.95
IUPAC Namecopper;bis(1,1,1,5,5,5-hexafluoropentane-2,4-dione);pyridine
SMILESO=C([CH-]C(=O)C(F)(F)F)C(F)(F)F.O=C([CH-]C(=O)C(F)(F)F)C(F)(F)F.[Cu+2].c1ccncc1
InChIInChI=1S/2C5HF6O2.C5H5N.Cu/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;1-2-4-6-5-3-1;/h2*1H;1-5H;/q2*-1;;+2
InChIKeyJCCMCKFEDBOTMS-UHFFFAOYSA-N
XLogP3.99
TPSA81.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.75
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of copper;bis(1,1,1,5,5,5-hexafluoropentane-2,4-dione);pyridine?
The IUPAC name of copper;bis(1,1,1,5,5,5-hexafluoropentane-2,4-dione);pyridine (CID 154702737) is copper;bis(1,1,1,5,5,5-hexafluoropentane-2,4-dione);pyridine.
What is the SMILES notation for copper;bis(1,1,1,5,5,5-hexafluoropentane-2,4-dione);pyridine?
The canonical SMILES for copper;bis(1,1,1,5,5,5-hexafluoropentane-2,4-dione);pyridine is O=C([CH-]C(=O)C(F)(F)F)C(F)(F)F.O=C([CH-]C(=O)C(F)(F)F)C(F)(F)F.[Cu+2].c1ccncc1.
What is the InChIKey of copper;bis(1,1,1,5,5,5-hexafluoropentane-2,4-dione);pyridine?
The InChIKey is JCCMCKFEDBOTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5HF6O2.C5H5N.Cu/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;1-2-4-6-5-3-1;/h2*1H;1-5H;/q2*-1;;+2.
What are the key properties of copper;bis(1,1,1,5,5,5-hexafluoropentane-2,4-dione);pyridine?
copper;bis(1,1,1,5,5,5-hexafluoropentane-2,4-dione);pyridine has a molecular weight of 556.75 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(1,1,1,5,5,5-hexafluoropentane-2,4-dione);pyridine is sourced from PubChem (CID 154702737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).