cobalt(2+);bis(1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane-2,3-diolate);bis(tetrabutylazanium)

C44H72CoF24N2O4 — CID 139140540

IUPACcobalt(2+);bis(1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane-2,3-diolate);bis(tetrabutylazanium)
SMILESCCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.[Co+2].[O-]C(C(F)(F)F)(C(F)(F)F)C([O-])(C(F)(F)F)C(F)(F)F.[O-]C(C(F)(F)F)(C(F)(F)F)C([O-])(C(F)(F)F)C(F)(F)F
InChIInChI=1S/2C16H36N.2C6F12O2.Co/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2*7-3(8,9)1(19,4(10,11)12)2(20,5(13,14)15)6(16,17)18;/h2*5-16H2,1-4H3;;;/q2*+1;2*-2;+2
InChIKeyGWVBBLZLUJVHEZ-UHFFFAOYSA-N
MW1207.95 g/mol
LogP12.87
Rot. Bonds26

About cobalt(2+);bis(1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane-2,3-diolate);bis(tetrabutylazanium)

cobalt(2+);bis(1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane-2,3-diolate);bis(tetrabutylazanium) (PubChem CID 139140540) has the molecular formula C44H72CoF24N2O4 and a molecular weight of 1207.95 g/mol. Its IUPAC name is cobalt(2+);bis(1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane-2,3-diolate);bis(tetrabutylazanium).

Molecular Properties

Compound Namecobalt(2+);bis(1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane-2,3-diolate);bis(tetrabutylazanium)
PubChem CID139140540
Molecular FormulaC44H72CoF24N2O4
Molecular Weight1207.95 g/mol
Exact Mass1207.44
IUPAC Namecobalt(2+);bis(1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane-2,3-diolate);bis(tetrabutylazanium)
SMILESCCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.[Co+2].[O-]C(C(F)(F)F)(C(F)(F)F)C([O-])(C(F)(F)F)C(F)(F)F.[O-]C(C(F)(F)F)(C(F)(F)F)C([O-])(C(F)(F)F)C(F)(F)F
InChIInChI=1S/2C16H36N.2C6F12O2.Co/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2*7-3(8,9)1(19,4(10,11)12)2(20,5(13,14)15)6(16,17)18;/h2*5-16H2,1-4H3;;;/q2*+1;2*-2;+2
InChIKeyGWVBBLZLUJVHEZ-UHFFFAOYSA-N
XLogP12.87
TPSA92.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds26
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001207.95
LogP ≤ 512.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

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CID 45268491
tetrabutylazanium;pentahydrate
CID 173386676
tetrabutylazanium hydroxide
CID 2723671
butyl(tripentyl)azanium
CID 14022644
dodecane;tetrabutylazanium
CID 173225937
dicyano-fluoro-(1,1,2,2,2-pentafluoroethyl)boranuide;tetrabutylazanium
CID 89251352
tetrabutylazanium;fluoride;dihydrate
CID 22343550
tributyl(hexadecyl)azanium
CID 3083031
hydron;tetrabutylazanium;diiodide
CID 173281455
dibutyl(diheptyl)azanium
CID 87534229
bis(palladium(2+));bis(tetrabutylazanium);hexachloride
CID 51000427
tetrabutylazanium;chloride;hydrobromide
CID 160850218

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis(1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane-2,3-diolate);bis(tetrabutylazanium)?
The IUPAC name of cobalt(2+);bis(1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane-2,3-diolate);bis(tetrabutylazanium) (CID 139140540) is cobalt(2+);bis(1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane-2,3-diolate);bis(tetrabutylazanium).
What is the SMILES notation for cobalt(2+);bis(1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane-2,3-diolate);bis(tetrabutylazanium)?
The canonical SMILES for cobalt(2+);bis(1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane-2,3-diolate);bis(tetrabutylazanium) is CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.[Co+2].[O-]C(C(F)(F)F)(C(F)(F)F)C([O-])(C(F)(F)F)C(F)(F)F.[O-]C(C(F)(F)F)(C(F)(F)F)C([O-])(C(F)(F)F)C(F)(F)F.
What is the InChIKey of cobalt(2+);bis(1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane-2,3-diolate);bis(tetrabutylazanium)?
The InChIKey is GWVBBLZLUJVHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H36N.2C6F12O2.Co/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2*7-3(8,9)1(19,4(10,11)12)2(20,5(13,14)15)6(16,17)18;/h2*5-16H2,1-4H3;;;/q2*+1;2*-2;+2.
What are the key properties of cobalt(2+);bis(1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane-2,3-diolate);bis(tetrabutylazanium)?
cobalt(2+);bis(1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane-2,3-diolate);bis(tetrabutylazanium) has a molecular weight of 1207.95 g/mol, XLogP of 12.87, 26 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);bis(1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane-2,3-diolate);bis(tetrabutylazanium) is sourced from PubChem (CID 139140540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).