tetrakis(cobalt(3+));tetrakis(oxygen(2-));tetrakis(pyridine);tetrakis(2,2,2-trifluoroacetate)

C28H20Co4F12N4O12 — CID 139049863

IUPACtetrakis(cobalt(3+));tetrakis(oxygen(2-));tetrakis(pyridine);tetrakis(2,2,2-trifluoroacetate)
SMILESO=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.[Co+3].[Co+3].[Co+3].[Co+3].[O-2].[O-2].[O-2].[O-2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/4C5H5N.4C2HF3O2.4Co.4O/c4*1-2-4-6-5-3-1;4*3-2(4,5)1(6)7;;;;;;;;/h4*1-5H;4*(H,6,7);;;;;;;;/q;;;;;;;;4*+3;4*-2/p-4
InChIKeyLDGHBNFWTSKYJE-UHFFFAOYSA-J
MW1068.19 g/mol
LogP1.04
Rot. Bonds

About tetrakis(cobalt(3+));tetrakis(oxygen(2-));tetrakis(pyridine);tetrakis(2,2,2-trifluoroacetate)

tetrakis(cobalt(3+));tetrakis(oxygen(2-));tetrakis(pyridine);tetrakis(2,2,2-trifluoroacetate) (PubChem CID 139049863) has the molecular formula C28H20Co4F12N4O12 and a molecular weight of 1068.19 g/mol. Its IUPAC name is tetrakis(cobalt(3+));tetrakis(oxygen(2-));tetrakis(pyridine);tetrakis(2,2,2-trifluoroacetate).

Molecular Properties

Compound Nametetrakis(cobalt(3+));tetrakis(oxygen(2-));tetrakis(pyridine);tetrakis(2,2,2-trifluoroacetate)
PubChem CID139049863
Molecular FormulaC28H20Co4F12N4O12
Molecular Weight1068.19 g/mol
Exact Mass1067.82
IUPAC Nametetrakis(cobalt(3+));tetrakis(oxygen(2-));tetrakis(pyridine);tetrakis(2,2,2-trifluoroacetate)
SMILESO=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.[Co+3].[Co+3].[Co+3].[Co+3].[O-2].[O-2].[O-2].[O-2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/4C5H5N.4C2HF3O2.4Co.4O/c4*1-2-4-6-5-3-1;4*3-2(4,5)1(6)7;;;;;;;;/h4*1-5H;4*(H,6,7);;;;;;;;/q;;;;;;;;4*+3;4*-2/p-4
InChIKeyLDGHBNFWTSKYJE-UHFFFAOYSA-J
XLogP1.04
TPSA326.08 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001068.19
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Related Compounds

Tetrakis(cobalt(3+));tetrakis(oxygen(2-));tetrakis(pyridine);bis(2,2,2-trifluoroacetate);diacetate
CID 139049866
bis(palladium(2+));tetrakis((Z)-3,3,3-trifluoro-1-pyridin-2-ylprop-1-en-2-olate)
CID 139136785
bis(platinum(2+));tetrakis((Z)-3,3,3-trifluoro-1-pyridin-2-ylprop-1-en-2-olate)
CID 139136789
(1) Mg(TFA)2(py)4
CID 168302342
dicopper;tetrakis((Z)-3,3,3-trifluoro-1-pyridin-2-ylprop-1-en-2-olate)
CID 168340932
Tris(1-methylpyridin-1-ium);bis(2,2,2-trifluoroacetate);chloride
CID 140986457
Carbon monoxide;cobalt;hexakis(pyridine)
CID 135047950
Oxygen(2-);tris(pyridine);tris(ruthenium(3+));hexaacetate;hexafluorophosphate
CID 139037584
Tetrakis(2-chloroacetate);tetrakis(cobalt(3+));tris(dichloromethane);tetrakis(oxygen(2-));tetrakis(pyridine)
CID 139049867
tetrakis(acetonitrile);tetrakis(cobalt(3+));tetrakis(N,N-dimethylpyridin-4-amine);tetrakis(oxygen(2-));tetraacetate
CID 139049868
octa(mu-methoxo)octa(mu-oxo)octaoxotetrapyridineoctamolybdenum(V)
CID 139056276
Hexakis(cobalt(2+));hexadecakis(pyridine);octaacetate;tetrahexafluorophosphate
CID 139059315

Frequently Asked Questions

What is the IUPAC name of tetrakis(cobalt(3+));tetrakis(oxygen(2-));tetrakis(pyridine);tetrakis(2,2,2-trifluoroacetate)?
The IUPAC name of tetrakis(cobalt(3+));tetrakis(oxygen(2-));tetrakis(pyridine);tetrakis(2,2,2-trifluoroacetate) (CID 139049863) is tetrakis(cobalt(3+));tetrakis(oxygen(2-));tetrakis(pyridine);tetrakis(2,2,2-trifluoroacetate).
What is the SMILES notation for tetrakis(cobalt(3+));tetrakis(oxygen(2-));tetrakis(pyridine);tetrakis(2,2,2-trifluoroacetate)?
The canonical SMILES for tetrakis(cobalt(3+));tetrakis(oxygen(2-));tetrakis(pyridine);tetrakis(2,2,2-trifluoroacetate) is O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.[Co+3].[Co+3].[Co+3].[Co+3].[O-2].[O-2].[O-2].[O-2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.
What is the InChIKey of tetrakis(cobalt(3+));tetrakis(oxygen(2-));tetrakis(pyridine);tetrakis(2,2,2-trifluoroacetate)?
The InChIKey is LDGHBNFWTSKYJE-UHFFFAOYSA-J. The full InChI is InChI=1S/4C5H5N.4C2HF3O2.4Co.4O/c4*1-2-4-6-5-3-1;4*3-2(4,5)1(6)7;;;;;;;;/h4*1-5H;4*(H,6,7);;;;;;;;/q;;;;;;;;4*+3;4*-2/p-4.
What are the key properties of tetrakis(cobalt(3+));tetrakis(oxygen(2-));tetrakis(pyridine);tetrakis(2,2,2-trifluoroacetate)?
tetrakis(cobalt(3+));tetrakis(oxygen(2-));tetrakis(pyridine);tetrakis(2,2,2-trifluoroacetate) has a molecular weight of 1068.19 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(cobalt(3+));tetrakis(oxygen(2-));tetrakis(pyridine);tetrakis(2,2,2-trifluoroacetate) is sourced from PubChem (CID 139049863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).