[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

C13H12F12N2NiO2+2 — CID 50909748

IUPAC[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
SMILES[H]/[O+]=C(/C/C(=N\CC(C)/N=C(\C/C(=[O+]/[H])C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F.[Ni]
InChIInChI=1S/C13H10F12N2O2.Ni/c1-5(27-7(11(17,18)19)3-9(29)13(23,24)25)4-26-6(10(14,15)16)2-8(28)12(20,21)22;/h5H,2-4H2,1H3;/p+2/b26-6+,27-7+;
InChIKeyYJFPROMABRMFEW-VJIRECSPSA-P
MW514.92 g/mol
LogP4.37
Rot. Bonds7

About [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

[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 (PubChem CID 50909748) has the molecular formula C13H12F12N2NiO2+2 and a molecular weight of 514.92 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID50909748
Molecular FormulaC13H12F12N2NiO2+2
Molecular Weight514.92 g/mol
Exact Mass514.00
IUPAC Name[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
SMILES[H]/[O+]=C(/C/C(=N\CC(C)/N=C(\C/C(=[O+]/[H])C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F.[Ni]
InChIInChI=1S/C13H10F12N2O2.Ni/c1-5(27-7(11(17,18)19)3-9(29)13(23,24)25)4-26-6(10(14,15)16)2-8(28)12(20,21)22;/h5H,2-4H2,1H3;/p+2/b26-6+,27-7+;
InChIKeyYJFPROMABRMFEW-VJIRECSPSA-P
XLogP4.37
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.92
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [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 with MolForge

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Launch Full Analysis

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
1,1,5,5-Tetrafluoro-3-propan-2-yliminopentan-2-one
CID 125487257
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
[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 3401791
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
Copper;[1,1,1-trifluoro-4-[2-[(5,5,5-trifluoro-4-oxoniumylidenepentan-2-ylidene)amino]ethylimino]pentan-2-ylidene]oxidanium
CID 50918248
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

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is [H]/[O+]=C(/C/C(=N\CC(C)/N=C(\C/C(=[O+]/[H])C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F.[Ni].
What is the InChIKey of [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?
The InChIKey is YJFPROMABRMFEW-VJIRECSPSA-P. The full InChI is InChI=1S/C13H10F12N2O2.Ni/c1-5(27-7(11(17,18)19)3-9(29)13(23,24)25)4-26-6(10(14,15)16)2-8(28)12(20,21)22;/h5H,2-4H2,1H3;/p+2/b26-6+,27-7+;.
What are the key properties of [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?
[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 has a molecular weight of 514.92 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 50909748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).