copper;[1,1,1-trifluoro-4-[2-[(5,5,5-trifluoro-4-oxoniumylidenepentan-2-ylidene)amino]ethylimino]pentan-2-ylidene]oxidanium

C12H16CuF6N2O2+2 — CID 50918248

IUPACcopper;[1,1,1-trifluoro-4-[2-[(5,5,5-trifluoro-4-oxoniumylidenepentan-2-ylidene)amino]ethylimino]pentan-2-ylidene]oxidanium
SMILES[Cu].[H]/[O+]=C(/C/C(C)=N/CC/N=C(\C)C/C(=[O+]\[H])C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H14F6N2O2.Cu/c1-7(5-9(21)11(13,14)15)19-3-4-20-8(2)6-10(22)12(16,17)18;/h3-6H2,1-2H3;/p+2/b19-7+,20-8+;
InChIKeyUNNDDVPRTFWSJR-XKSVKDSASA-P
MW397.81 g/mol
LogP2.90
Rot. Bonds7

About copper;[1,1,1-trifluoro-4-[2-[(5,5,5-trifluoro-4-oxoniumylidenepentan-2-ylidene)amino]ethylimino]pentan-2-ylidene]oxidanium

copper;[1,1,1-trifluoro-4-[2-[(5,5,5-trifluoro-4-oxoniumylidenepentan-2-ylidene)amino]ethylimino]pentan-2-ylidene]oxidanium (PubChem CID 50918248) has the molecular formula C12H16CuF6N2O2+2 and a molecular weight of 397.81 g/mol. Its IUPAC name is copper;[1,1,1-trifluoro-4-[2-[(5,5,5-trifluoro-4-oxoniumylidenepentan-2-ylidene)amino]ethylimino]pentan-2-ylidene]oxidanium.

Molecular Properties

Compound Namecopper;[1,1,1-trifluoro-4-[2-[(5,5,5-trifluoro-4-oxoniumylidenepentan-2-ylidene)amino]ethylimino]pentan-2-ylidene]oxidanium
PubChem CID50918248
Molecular FormulaC12H16CuF6N2O2+2
Molecular Weight397.81 g/mol
Exact Mass397.04
IUPAC Namecopper;[1,1,1-trifluoro-4-[2-[(5,5,5-trifluoro-4-oxoniumylidenepentan-2-ylidene)amino]ethylimino]pentan-2-ylidene]oxidanium
SMILES[Cu].[H]/[O+]=C(/C/C(C)=N/CC/N=C(\C)C/C(=[O+]\[H])C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H14F6N2O2.Cu/c1-7(5-9(21)11(13,14)15)19-3-4-20-8(2)6-10(22)12(16,17)18;/h3-6H2,1-2H3;/p+2/b19-7+,20-8+;
InChIKeyUNNDDVPRTFWSJR-XKSVKDSASA-P
XLogP2.90
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.81
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1,1,1-Trifluoro-4-[2-[(5,5,5-trifluoro-4-oxopentan-2-ylidene)amino]propylimino]pentan-2-one
CID 227167
N,N'-Ethylenebis(trifluoroacetylacetoneimine)
CID 193293
N,N'-Butylenebis(5,5,5-trifluoro-4-oxopentan-2-imine)
CID 586813
N,N'-Ethylenebis(5,5,5-trifluoro-4-oxopentan-2-imine)
CID 597142
1,1,1,5,5,5-Hexafluoro-4-[2-[(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]propylimino]pentan-2-one
CID 432661
Copper;[1,1,1-trifluoro-4-[2-[(5,5,5-trifluoro-4-oxoniumylidenepentan-2-ylidene)amino]ethylimino]pentan-2-ylidene]oxidanium
CID 4522960
1,1,1,5,5,5-Hexafluoro-4-[2-[(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]propylimino]pentan-2-one;nickel
CID 24199081
Copper;1,1,1-trifluoro-4-[2-[(5,5,5-trifluoro-4-oxopentan-2-ylidene)amino]ethylimino]pentan-2-one
CID 49873762
[1,1,1,5,5,5-Hexafluoro-4-[1-[(1,1,1,5,5,5-hexafluoro-4-oxoniumylidenepentan-2-ylidene)amino]propan-2-ylimino]pentan-2-ylidene]oxidanium;nickel
CID 50909748
1,1,1-trifluoro-4-[(2S)-2-[(5,5,5-trifluoro-4-oxopentan-2-ylidene)amino]propyl]iminopentan-2-one
CID 98565115
1,1,1,5,5,5-Hexafluoro-4-[2-[(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]ethylimino]pentan-2-one
CID 102157491
Copper;4-[1-(4-oxoniumylidenepentan-2-ylideneamino)propan-2-ylimino]pentan-2-ylideneoxidanium
CID 50910390

Frequently Asked Questions

What is the IUPAC name of copper;[1,1,1-trifluoro-4-[2-[(5,5,5-trifluoro-4-oxoniumylidenepentan-2-ylidene)amino]ethylimino]pentan-2-ylidene]oxidanium?
The IUPAC name of copper;[1,1,1-trifluoro-4-[2-[(5,5,5-trifluoro-4-oxoniumylidenepentan-2-ylidene)amino]ethylimino]pentan-2-ylidene]oxidanium (CID 50918248) is copper;[1,1,1-trifluoro-4-[2-[(5,5,5-trifluoro-4-oxoniumylidenepentan-2-ylidene)amino]ethylimino]pentan-2-ylidene]oxidanium.
What is the SMILES notation for copper;[1,1,1-trifluoro-4-[2-[(5,5,5-trifluoro-4-oxoniumylidenepentan-2-ylidene)amino]ethylimino]pentan-2-ylidene]oxidanium?
The canonical SMILES for copper;[1,1,1-trifluoro-4-[2-[(5,5,5-trifluoro-4-oxoniumylidenepentan-2-ylidene)amino]ethylimino]pentan-2-ylidene]oxidanium is [Cu].[H]/[O+]=C(/C/C(C)=N/CC/N=C(\C)C/C(=[O+]\[H])C(F)(F)F)C(F)(F)F.
What is the InChIKey of copper;[1,1,1-trifluoro-4-[2-[(5,5,5-trifluoro-4-oxoniumylidenepentan-2-ylidene)amino]ethylimino]pentan-2-ylidene]oxidanium?
The InChIKey is UNNDDVPRTFWSJR-XKSVKDSASA-P. The full InChI is InChI=1S/C12H14F6N2O2.Cu/c1-7(5-9(21)11(13,14)15)19-3-4-20-8(2)6-10(22)12(16,17)18;/h3-6H2,1-2H3;/p+2/b19-7+,20-8+;.
What are the key properties of copper;[1,1,1-trifluoro-4-[2-[(5,5,5-trifluoro-4-oxoniumylidenepentan-2-ylidene)amino]ethylimino]pentan-2-ylidene]oxidanium?
copper;[1,1,1-trifluoro-4-[2-[(5,5,5-trifluoro-4-oxoniumylidenepentan-2-ylidene)amino]ethylimino]pentan-2-ylidene]oxidanium has a molecular weight of 397.81 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper;[1,1,1-trifluoro-4-[2-[(5,5,5-trifluoro-4-oxoniumylidenepentan-2-ylidene)amino]ethylimino]pentan-2-ylidene]oxidanium is sourced from PubChem (CID 50918248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).