cobalt(3+);tris((Z)-3,3,3-trifluoro-1-pyridin-2-ylprop-1-en-2-olate)

C24H15CoF9N3O3 — CID 139142312

IUPACcobalt(3+);tris((Z)-3,3,3-trifluoro-1-pyridin-2-ylprop-1-en-2-olate)
SMILES[Co+3].[O-]/C(=C\c1ccccn1)C(F)(F)F.[O-]/C(=C\c1ccccn1)C(F)(F)F.[O-]/C(=C\c1ccccn1)C(F)(F)F
InChIInChI=1S/3C8H6F3NO.Co/c3*9-8(10,11)7(13)5-6-3-1-2-4-12-6;/h3*1-5,13H;/q;;;+3/p-3/b3*7-5-;
InChIKeyXBNOPYTXEFDBDS-HIDANINISA-K
MW623.32 g/mol
LogP4.03
Rot. Bonds3

About cobalt(3+);tris((Z)-3,3,3-trifluoro-1-pyridin-2-ylprop-1-en-2-olate)

cobalt(3+);tris((Z)-3,3,3-trifluoro-1-pyridin-2-ylprop-1-en-2-olate) (PubChem CID 139142312) has the molecular formula C24H15CoF9N3O3 and a molecular weight of 623.32 g/mol. Its IUPAC name is cobalt(3+);tris((Z)-3,3,3-trifluoro-1-pyridin-2-ylprop-1-en-2-olate).

Molecular Properties

Compound Namecobalt(3+);tris((Z)-3,3,3-trifluoro-1-pyridin-2-ylprop-1-en-2-olate)
PubChem CID139142312
Molecular FormulaC24H15CoF9N3O3
Molecular Weight623.32 g/mol
Exact Mass623.03
IUPAC Namecobalt(3+);tris((Z)-3,3,3-trifluoro-1-pyridin-2-ylprop-1-en-2-olate)
SMILES[Co+3].[O-]/C(=C\c1ccccn1)C(F)(F)F.[O-]/C(=C\c1ccccn1)C(F)(F)F.[O-]/C(=C\c1ccccn1)C(F)(F)F
InChIInChI=1S/3C8H6F3NO.Co/c3*9-8(10,11)7(13)5-6-3-1-2-4-12-6;/h3*1-5,13H;/q;;;+3/p-3/b3*7-5-;
InChIKeyXBNOPYTXEFDBDS-HIDANINISA-K
XLogP4.03
TPSA107.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500623.32
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis((Z)-3,3,4,4,5,5,5-heptafluoro-1-pyridin-2-ylpent-1-en-2-olate);palladium(2+)
CID 139136790
(Z)-3,3,4,4,4-pentafluoro-1-pyridin-2-ylbut-1-en-2-ol
CID 139136787
(E)-2-pyridin-2-yl-1-[2-(trifluoromethyl)phenyl]ethenol
CID 177421488
(Z)-2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethenol
CID 136815132
(Z)-3,3,3-trichloro-1-pyridin-2-ylprop-1-en-2-ol
CID 164511358
2-(2-pyridin-2-ylethenyl)pyridine
CID 161029843
N-(4-bromophenyl)-1-pyridin-2-ylmethanimine;bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);nickel(2+)
CID 139080948
manganese(2+);2-pyridin-2-ylpyridine;bis((Z)-1,1,1-trifluoro-4-oxo-4-phenylbut-2-en-2-olate)
CID 139056918
tetrakis(benzene-1,2-diol);bis(2-[(E)-2-pyridin-2-ylethenyl]pyridine)
CID 139185658
(Z)-2-chloro-3-pyridin-2-ylprop-2-enal
CID 12946087
(Z)-1-phenyl-2-pyridin-2-ylethenamine
CID 13266377
1,2-dipyridin-2-ylethenylphosphane
CID 174741500

Frequently Asked Questions

What is the IUPAC name of cobalt(3+);tris((Z)-3,3,3-trifluoro-1-pyridin-2-ylprop-1-en-2-olate)?
The IUPAC name of cobalt(3+);tris((Z)-3,3,3-trifluoro-1-pyridin-2-ylprop-1-en-2-olate) (CID 139142312) is cobalt(3+);tris((Z)-3,3,3-trifluoro-1-pyridin-2-ylprop-1-en-2-olate).
What is the SMILES notation for cobalt(3+);tris((Z)-3,3,3-trifluoro-1-pyridin-2-ylprop-1-en-2-olate)?
The canonical SMILES for cobalt(3+);tris((Z)-3,3,3-trifluoro-1-pyridin-2-ylprop-1-en-2-olate) is [Co+3].[O-]/C(=C\c1ccccn1)C(F)(F)F.[O-]/C(=C\c1ccccn1)C(F)(F)F.[O-]/C(=C\c1ccccn1)C(F)(F)F.
What is the InChIKey of cobalt(3+);tris((Z)-3,3,3-trifluoro-1-pyridin-2-ylprop-1-en-2-olate)?
The InChIKey is XBNOPYTXEFDBDS-HIDANINISA-K. The full InChI is InChI=1S/3C8H6F3NO.Co/c3*9-8(10,11)7(13)5-6-3-1-2-4-12-6;/h3*1-5,13H;/q;;;+3/p-3/b3*7-5-;.
What are the key properties of cobalt(3+);tris((Z)-3,3,3-trifluoro-1-pyridin-2-ylprop-1-en-2-olate)?
cobalt(3+);tris((Z)-3,3,3-trifluoro-1-pyridin-2-ylprop-1-en-2-olate) has a molecular weight of 623.32 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);tris((Z)-3,3,3-trifluoro-1-pyridin-2-ylprop-1-en-2-olate) is sourced from PubChem (CID 139142312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).