copper;bis((1,1,1-trifluoro-4-oxoniumylidene-4-phenylbutan-2-ylidene)oxidanium)

C20H18CuF6O4+4 — CID 50912491

IUPACcopper;bis((1,1,1-trifluoro-4-oxoniumylidene-4-phenylbutan-2-ylidene)oxidanium)
SMILES[Cu].[H]/[O+]=C(/C/C(=[O+]/[H])C(F)(F)F)c1ccccc1.[H]/[O+]=C(/C/C(=[O+]/[H])C(F)(F)F)c1ccccc1
InChIInChI=1S/2C10H7F3O2.Cu/c2*11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7;/h2*1-5H,6H2;/p+4
InChIKeyBDVVFUBNOKCILQ-UHFFFAOYSA-R
MW499.89 g/mol
LogP4.15
Rot. Bonds6

About copper;bis((1,1,1-trifluoro-4-oxoniumylidene-4-phenylbutan-2-ylidene)oxidanium)

copper;bis((1,1,1-trifluoro-4-oxoniumylidene-4-phenylbutan-2-ylidene)oxidanium) (PubChem CID 50912491) has the molecular formula C20H18CuF6O4+4 and a molecular weight of 499.89 g/mol. Its IUPAC name is copper;bis((1,1,1-trifluoro-4-oxoniumylidene-4-phenylbutan-2-ylidene)oxidanium).

Molecular Properties

Compound Namecopper;bis((1,1,1-trifluoro-4-oxoniumylidene-4-phenylbutan-2-ylidene)oxidanium)
PubChem CID50912491
Molecular FormulaC20H18CuF6O4+4
Molecular Weight499.89 g/mol
Exact Mass499.04
IUPAC Namecopper;bis((1,1,1-trifluoro-4-oxoniumylidene-4-phenylbutan-2-ylidene)oxidanium)
SMILES[Cu].[H]/[O+]=C(/C/C(=[O+]/[H])C(F)(F)F)c1ccccc1.[H]/[O+]=C(/C/C(=[O+]/[H])C(F)(F)F)c1ccccc1
InChIInChI=1S/2C10H7F3O2.Cu/c2*11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7;/h2*1-5H,6H2;/p+4
InChIKeyBDVVFUBNOKCILQ-UHFFFAOYSA-R
XLogP4.15
TPSA85.60 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.89
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 6711846
CID 6711846
bis((4-oxoniumylidene-4-phenylbutan-2-ylidene)oxidanium);oxovanadium
CID 5165107
nickel;bis((1-phenyl-3-phenyliminobutylidene)oxidanium)
CID 5181668
dichlorotin;[3-[2-[(4-oxoniumylidene-4-phenylbutan-2-ylidene)amino]ethylimino]-1-phenylbutylidene]oxidanium
CID 4569372
[chloro(phenyl)methylidene]oxidanium
CID 134973478
europium;tetrakis(4,4,4-trifluoro-1-phenylbutane-1,3-dione)
CID 159123856
1,1,1-trifluoro-4-phenyl-4-[2-[(4,4,4-trifluoro-3-oxo-1-phenylbutylidene)amino]ethylimino]butan-2-one
CID 123893642
1,1,1-trifluoro-4-methylimino-4-phenylbutan-2-one
CID 7392503
copper;[4-[2-hydroxy-3-[(3-oxoniumylidene-1-phenylbutylidene)amino]propyl]imino-4-phenylbutan-2-ylidene]oxidanium
CID 3847635
[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]benzene
CID 12566938
[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]benzene
CID 12566937
hafnium;tris([(Z)-3-hydroxy-1,3-diphenylprop-2-enylidene]oxidanium)
CID 22834135

Frequently Asked Questions

What is the IUPAC name of copper;bis((1,1,1-trifluoro-4-oxoniumylidene-4-phenylbutan-2-ylidene)oxidanium)?
The IUPAC name of copper;bis((1,1,1-trifluoro-4-oxoniumylidene-4-phenylbutan-2-ylidene)oxidanium) (CID 50912491) is copper;bis((1,1,1-trifluoro-4-oxoniumylidene-4-phenylbutan-2-ylidene)oxidanium).
What is the SMILES notation for copper;bis((1,1,1-trifluoro-4-oxoniumylidene-4-phenylbutan-2-ylidene)oxidanium)?
The canonical SMILES for copper;bis((1,1,1-trifluoro-4-oxoniumylidene-4-phenylbutan-2-ylidene)oxidanium) is [Cu].[H]/[O+]=C(/C/C(=[O+]/[H])C(F)(F)F)c1ccccc1.[H]/[O+]=C(/C/C(=[O+]/[H])C(F)(F)F)c1ccccc1.
What is the InChIKey of copper;bis((1,1,1-trifluoro-4-oxoniumylidene-4-phenylbutan-2-ylidene)oxidanium)?
The InChIKey is BDVVFUBNOKCILQ-UHFFFAOYSA-R. The full InChI is InChI=1S/2C10H7F3O2.Cu/c2*11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7;/h2*1-5H,6H2;/p+4.
What are the key properties of copper;bis((1,1,1-trifluoro-4-oxoniumylidene-4-phenylbutan-2-ylidene)oxidanium)?
copper;bis((1,1,1-trifluoro-4-oxoniumylidene-4-phenylbutan-2-ylidene)oxidanium) has a molecular weight of 499.89 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis((1,1,1-trifluoro-4-oxoniumylidene-4-phenylbutan-2-ylidene)oxidanium) is sourced from PubChem (CID 50912491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).