copper;bis((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);dihydrate

C10H8CuF12O6 — CID 91927752

IUPACcopper;bis((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);dihydrate
SMILESO.O.O=C(/C=C(\O)C(F)(F)F)C(F)(F)F.O=C(/C=C(\O)C(F)(F)F)C(F)(F)F.[Cu]
InChIInChI=1S/2C5H2F6O2.Cu.2H2O/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;;;/h2*1,12H;;2*1H2/b2*2-1-;;;
InChIKeyOXLORIIDUILBOF-LJDKTGGESA-N
MW515.69 g/mol
LogP2.59
Rot. Bonds2

About copper;bis((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);dihydrate

copper;bis((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);dihydrate (PubChem CID 91927752) has the molecular formula C10H8CuF12O6 and a molecular weight of 515.69 g/mol. Its IUPAC name is copper;bis((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);dihydrate.

Molecular Properties

Compound Namecopper;bis((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);dihydrate
PubChem CID91927752
Molecular FormulaC10H8CuF12O6
Molecular Weight515.69 g/mol
Exact Mass514.94
IUPAC Namecopper;bis((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);dihydrate
SMILESO.O.O=C(/C=C(\O)C(F)(F)F)C(F)(F)F.O=C(/C=C(\O)C(F)(F)F)C(F)(F)F.[Cu]
InChIInChI=1S/2C5H2F6O2.Cu.2H2O/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;;;/h2*1,12H;;2*1H2/b2*2-1-;;;
InChIKeyOXLORIIDUILBOF-LJDKTGGESA-N
XLogP2.59
TPSA137.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.69
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of copper;bis((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);dihydrate?
The IUPAC name of copper;bis((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);dihydrate (CID 91927752) is copper;bis((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);dihydrate.
What is the SMILES notation for copper;bis((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);dihydrate?
The canonical SMILES for copper;bis((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);dihydrate is O.O.O=C(/C=C(\O)C(F)(F)F)C(F)(F)F.O=C(/C=C(\O)C(F)(F)F)C(F)(F)F.[Cu].
What is the InChIKey of copper;bis((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);dihydrate?
The InChIKey is OXLORIIDUILBOF-LJDKTGGESA-N. The full InChI is InChI=1S/2C5H2F6O2.Cu.2H2O/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;;;/h2*1,12H;;2*1H2/b2*2-1-;;;.
What are the key properties of copper;bis((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);dihydrate?
copper;bis((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);dihydrate has a molecular weight of 515.69 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);dihydrate is sourced from PubChem (CID 91927752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).