copper;fluoro 4,4,5,5,5-pentafluoro-3-oxo-2-propan-2-ylidenepentanoate

C8H6CuF6O3 — CID 174742988

IUPACcopper;fluoro 4,4,5,5,5-pentafluoro-3-oxo-2-propan-2-ylidenepentanoate
SMILESCC(C)=C(C(=O)OF)C(=O)C(F)(F)C(F)(F)F.[Cu]
InChIInChI=1S/C8H6F6O3.Cu/c1-3(2)4(6(16)17-14)5(15)7(9,10)8(11,12)13;/h1-2H3;
InChIKeyDERGTQJSRFPPAX-UHFFFAOYSA-N
MW327.67 g/mol
LogP2.51
Rot. Bonds3

About copper;fluoro 4,4,5,5,5-pentafluoro-3-oxo-2-propan-2-ylidenepentanoate

copper;fluoro 4,4,5,5,5-pentafluoro-3-oxo-2-propan-2-ylidenepentanoate (PubChem CID 174742988) has the molecular formula C8H6CuF6O3 and a molecular weight of 327.67 g/mol. Its IUPAC name is copper;fluoro 4,4,5,5,5-pentafluoro-3-oxo-2-propan-2-ylidenepentanoate.

Molecular Properties

Compound Namecopper;fluoro 4,4,5,5,5-pentafluoro-3-oxo-2-propan-2-ylidenepentanoate
PubChem CID174742988
Molecular FormulaC8H6CuF6O3
Molecular Weight327.67 g/mol
Exact Mass326.95
IUPAC Namecopper;fluoro 4,4,5,5,5-pentafluoro-3-oxo-2-propan-2-ylidenepentanoate
SMILESCC(C)=C(C(=O)OF)C(=O)C(F)(F)C(F)(F)F.[Cu]
InChIInChI=1S/C8H6F6O3.Cu/c1-3(2)4(6(16)17-14)5(15)7(9,10)8(11,12)13;/h1-2H3;
InChIKeyDERGTQJSRFPPAX-UHFFFAOYSA-N
XLogP2.51
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.67
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of copper;fluoro 4,4,5,5,5-pentafluoro-3-oxo-2-propan-2-ylidenepentanoate?
The IUPAC name of copper;fluoro 4,4,5,5,5-pentafluoro-3-oxo-2-propan-2-ylidenepentanoate (CID 174742988) is copper;fluoro 4,4,5,5,5-pentafluoro-3-oxo-2-propan-2-ylidenepentanoate.
What is the SMILES notation for copper;fluoro 4,4,5,5,5-pentafluoro-3-oxo-2-propan-2-ylidenepentanoate?
The canonical SMILES for copper;fluoro 4,4,5,5,5-pentafluoro-3-oxo-2-propan-2-ylidenepentanoate is CC(C)=C(C(=O)OF)C(=O)C(F)(F)C(F)(F)F.[Cu].
What is the InChIKey of copper;fluoro 4,4,5,5,5-pentafluoro-3-oxo-2-propan-2-ylidenepentanoate?
The InChIKey is DERGTQJSRFPPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F6O3.Cu/c1-3(2)4(6(16)17-14)5(15)7(9,10)8(11,12)13;/h1-2H3;.
What are the key properties of copper;fluoro 4,4,5,5,5-pentafluoro-3-oxo-2-propan-2-ylidenepentanoate?
copper;fluoro 4,4,5,5,5-pentafluoro-3-oxo-2-propan-2-ylidenepentanoate has a molecular weight of 327.67 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper;fluoro 4,4,5,5,5-pentafluoro-3-oxo-2-propan-2-ylidenepentanoate is sourced from PubChem (CID 174742988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).