copper;cycloocta-1,5-diene;1,1,1,5,5,5-hexafluoropentane-2,4-dione

C13H14CuF6O2 — CID 158976569

IUPACcopper;cycloocta-1,5-diene;1,1,1,5,5,5-hexafluoropentane-2,4-dione
SMILESC1=CCCC=CCC1.O=C(CC(=O)C(F)(F)F)C(F)(F)F.[Cu]
InChIInChI=1S/C8H12.C5H2F6O2.Cu/c1-2-4-6-8-7-5-3-1;6-4(7,8)2(12)1-3(13)5(9,10)11;/h1-2,7-8H,3-6H2;1H2;
InChIKeyJOLURLQBADSSPV-UHFFFAOYSA-N
MW379.79 g/mol
LogP4.31
Rot. Bonds2

About copper;cycloocta-1,5-diene;1,1,1,5,5,5-hexafluoropentane-2,4-dione

copper;cycloocta-1,5-diene;1,1,1,5,5,5-hexafluoropentane-2,4-dione (PubChem CID 158976569) has the molecular formula C13H14CuF6O2 and a molecular weight of 379.79 g/mol. Its IUPAC name is copper;cycloocta-1,5-diene;1,1,1,5,5,5-hexafluoropentane-2,4-dione.

Molecular Properties

Compound Namecopper;cycloocta-1,5-diene;1,1,1,5,5,5-hexafluoropentane-2,4-dione
PubChem CID158976569
Molecular FormulaC13H14CuF6O2
Molecular Weight379.79 g/mol
Exact Mass379.02
IUPAC Namecopper;cycloocta-1,5-diene;1,1,1,5,5,5-hexafluoropentane-2,4-dione
SMILESC1=CCCC=CCC1.O=C(CC(=O)C(F)(F)F)C(F)(F)F.[Cu]
InChIInChI=1S/C8H12.C5H2F6O2.Cu/c1-2-4-6-8-7-5-3-1;6-4(7,8)2(12)1-3(13)5(9,10)11;/h1-2,7-8H,3-6H2;1H2;
InChIKeyJOLURLQBADSSPV-UHFFFAOYSA-N
XLogP4.31
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.79
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of copper;cycloocta-1,5-diene;1,1,1,5,5,5-hexafluoropentane-2,4-dione?
The IUPAC name of copper;cycloocta-1,5-diene;1,1,1,5,5,5-hexafluoropentane-2,4-dione (CID 158976569) is copper;cycloocta-1,5-diene;1,1,1,5,5,5-hexafluoropentane-2,4-dione.
What is the SMILES notation for copper;cycloocta-1,5-diene;1,1,1,5,5,5-hexafluoropentane-2,4-dione?
The canonical SMILES for copper;cycloocta-1,5-diene;1,1,1,5,5,5-hexafluoropentane-2,4-dione is C1=CCCC=CCC1.O=C(CC(=O)C(F)(F)F)C(F)(F)F.[Cu].
What is the InChIKey of copper;cycloocta-1,5-diene;1,1,1,5,5,5-hexafluoropentane-2,4-dione?
The InChIKey is JOLURLQBADSSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12.C5H2F6O2.Cu/c1-2-4-6-8-7-5-3-1;6-4(7,8)2(12)1-3(13)5(9,10)11;/h1-2,7-8H,3-6H2;1H2;.
What are the key properties of copper;cycloocta-1,5-diene;1,1,1,5,5,5-hexafluoropentane-2,4-dione?
copper;cycloocta-1,5-diene;1,1,1,5,5,5-hexafluoropentane-2,4-dione has a molecular weight of 379.79 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper;cycloocta-1,5-diene;1,1,1,5,5,5-hexafluoropentane-2,4-dione is sourced from PubChem (CID 158976569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).