copper;bis(1,1,1,4,4,5-hexafluoroheptane-2,3-dione)

C14H12CuF12O4 — CID 175437168

IUPACcopper;bis(1,1,1,4,4,5-hexafluoroheptane-2,3-dione)
SMILESCCC(F)C(F)(F)C(=O)C(=O)C(F)(F)F.CCC(F)C(F)(F)C(=O)C(=O)C(F)(F)F.[Cu]
InChIInChI=1S/2C7H6F6O2.Cu/c2*1-2-3(8)6(9,10)4(14)5(15)7(11,12)13;/h2*3H,2H2,1H3;
InChIKeyLWCLFYZAFLBIQO-UHFFFAOYSA-N
MW535.77 g/mol
LogP4.14
Rot. Bonds8

About copper;bis(1,1,1,4,4,5-hexafluoroheptane-2,3-dione)

copper;bis(1,1,1,4,4,5-hexafluoroheptane-2,3-dione) (PubChem CID 175437168) has the molecular formula C14H12CuF12O4 and a molecular weight of 535.77 g/mol. Its IUPAC name is copper;bis(1,1,1,4,4,5-hexafluoroheptane-2,3-dione).

Molecular Properties

Compound Namecopper;bis(1,1,1,4,4,5-hexafluoroheptane-2,3-dione)
PubChem CID175437168
Molecular FormulaC14H12CuF12O4
Molecular Weight535.77 g/mol
Exact Mass534.98
IUPAC Namecopper;bis(1,1,1,4,4,5-hexafluoroheptane-2,3-dione)
SMILESCCC(F)C(F)(F)C(=O)C(=O)C(F)(F)F.CCC(F)C(F)(F)C(=O)C(=O)C(F)(F)F.[Cu]
InChIInChI=1S/2C7H6F6O2.Cu/c2*1-2-3(8)6(9,10)4(14)5(15)7(11,12)13;/h2*3H,2H2,1H3;
InChIKeyLWCLFYZAFLBIQO-UHFFFAOYSA-N
XLogP4.14
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.77
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1,1,2-trifluorobutan-1-amine;hydroiodide
CID 138607345
3,3,4,4,5-pentafluoroheptanoic acid
CID 87292371
N,N-diethyl-2-methylpropanamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione
CID 159940751
1,1,2,2,3-pentafluoropentyl 2,2,2-trifluoroethaneperoxoate
CID 19880908
azane;1,1,2-trifluorobutane-1-sulfonic acid
CID 173170473
1-fluoropropyl 2,2,2-trifluoroacetate
CID 151523530
3-ethyl-2,2-difluoropentanoic acid
CID 53443922
3-(butan-2-yloxymethylidene)-1,1,1,5,5,5-hexafluoropentane-2,4-dione
CID 57195694
2-(trifluoromethyl)butanoic acid;hydrochloride
CID 175076034
1,1,1,2,2,3-hexafluoropentane;zirconium(2+)
CID 19359359
3-ethyl-1,1,1-trifluoropentane-2,4-dione
CID 139762441
potassium 2-fluorobutanoate
CID 168947698

Frequently Asked Questions

What is the IUPAC name of copper;bis(1,1,1,4,4,5-hexafluoroheptane-2,3-dione)?
The IUPAC name of copper;bis(1,1,1,4,4,5-hexafluoroheptane-2,3-dione) (CID 175437168) is copper;bis(1,1,1,4,4,5-hexafluoroheptane-2,3-dione).
What is the SMILES notation for copper;bis(1,1,1,4,4,5-hexafluoroheptane-2,3-dione)?
The canonical SMILES for copper;bis(1,1,1,4,4,5-hexafluoroheptane-2,3-dione) is CCC(F)C(F)(F)C(=O)C(=O)C(F)(F)F.CCC(F)C(F)(F)C(=O)C(=O)C(F)(F)F.[Cu].
What is the InChIKey of copper;bis(1,1,1,4,4,5-hexafluoroheptane-2,3-dione)?
The InChIKey is LWCLFYZAFLBIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H6F6O2.Cu/c2*1-2-3(8)6(9,10)4(14)5(15)7(11,12)13;/h2*3H,2H2,1H3;.
What are the key properties of copper;bis(1,1,1,4,4,5-hexafluoroheptane-2,3-dione)?
copper;bis(1,1,1,4,4,5-hexafluoroheptane-2,3-dione) has a molecular weight of 535.77 g/mol, XLogP of 4.14, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(1,1,1,4,4,5-hexafluoroheptane-2,3-dione) is sourced from PubChem (CID 175437168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).