oxidanium;copper(1+);bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)

C10H5CuF12O5 — CID 139133359

IUPACoxidanium;copper(1+);bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)
SMILESO=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+].[OH3+]
InChIInChI=1S/2C5H2F6O2.Cu.H2O/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;;/h2*1,12H;;1H2/q;;+1;/p-1/b2*2-1-;;
InChIKeyJMAYBOWIUNGVLT-SUXDNRKISA-M
MW496.67 g/mol
LogP0.92
Rot. Bonds2

About oxidanium;copper(1+);bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)

oxidanium;copper(1+);bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate) (PubChem CID 139133359) has the molecular formula C10H5CuF12O5 and a molecular weight of 496.67 g/mol. Its IUPAC name is oxidanium;copper(1+);bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate).

Molecular Properties

Compound Nameoxidanium;copper(1+);bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)
PubChem CID139133359
Molecular FormulaC10H5CuF12O5
Molecular Weight496.67 g/mol
Exact Mass495.92
IUPAC Nameoxidanium;copper(1+);bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)
SMILESO=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+].[OH3+]
InChIInChI=1S/2C5H2F6O2.Cu.H2O/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;;/h2*1,12H;;1H2/q;;+1;/p-1/b2*2-1-;;
InChIKeyJMAYBOWIUNGVLT-SUXDNRKISA-M
XLogP0.92
TPSA113.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.67
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cesium (Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate
CID 102602232
strontium bis(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)
CID 132989327
CID 170999876
CID 170999876
cobalt(3+);tris(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)
CID 175687596
(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate;(E)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate;manganese(2+)
CID 50909026
CID 170997456
CID 170997456
calcium;(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate;hydrate
CID 44717257
bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);molybdenum(2+);dihydrate
CID 175688119
copper(1+);ethenyl(trimethyl)silane;(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate
CID 165360048
dilithium;(2Z,5Z)-1,1,1,7,7,7-hexafluoro-4-oxohepta-2,5-diene-2,6-diolate
CID 91926473
magnesium (E)-1,1,1-trifluoro-4-oxopent-2-en-2-olate
CID 44717569
samarium(3+);(Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate
CID 15242750

Frequently Asked Questions

What is the IUPAC name of oxidanium;copper(1+);bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)?
The IUPAC name of oxidanium;copper(1+);bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate) (CID 139133359) is oxidanium;copper(1+);bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate).
What is the SMILES notation for oxidanium;copper(1+);bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)?
The canonical SMILES for oxidanium;copper(1+);bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate) is 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+].[OH3+].
What is the InChIKey of oxidanium;copper(1+);bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)?
The InChIKey is JMAYBOWIUNGVLT-SUXDNRKISA-M. The full InChI is InChI=1S/2C5H2F6O2.Cu.H2O/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;;/h2*1,12H;;1H2/q;;+1;/p-1/b2*2-1-;;.
What are the key properties of oxidanium;copper(1+);bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)?
oxidanium;copper(1+);bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate) has a molecular weight of 496.67 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxidanium;copper(1+);bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate) is sourced from PubChem (CID 139133359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).