cobalt(3+);tris(1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propan-1-olate)

C12CoF27O3 — CID 173155428

IUPACcobalt(3+);tris(1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propan-1-olate)
SMILES[Co+3].[O-]C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.[O-]C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.[O-]C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/3C4F9O.Co/c3*5-1(2(6,7)8,3(9,10)11)4(12,13)14;/q3*-1;+3
InChIKeyIBLWOMSBNVZTKX-UHFFFAOYSA-N
MW764.01 g/mol
LogP5.31
Rot. Bonds3

About cobalt(3+);tris(1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propan-1-olate)

cobalt(3+);tris(1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propan-1-olate) (PubChem CID 173155428) has the molecular formula C12CoF27O3 and a molecular weight of 764.01 g/mol. Its IUPAC name is cobalt(3+);tris(1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propan-1-olate).

Molecular Properties

Compound Namecobalt(3+);tris(1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propan-1-olate)
PubChem CID173155428
Molecular FormulaC12CoF27O3
Molecular Weight764.01 g/mol
Exact Mass763.87
IUPAC Namecobalt(3+);tris(1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propan-1-olate)
SMILES[Co+3].[O-]C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.[O-]C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.[O-]C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/3C4F9O.Co/c3*5-1(2(6,7)8,3(9,10)11)4(12,13)14;/q3*-1;+3
InChIKeyIBLWOMSBNVZTKX-UHFFFAOYSA-N
XLogP5.31
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.01
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cobalt(3+);tris(1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propan-1-olate) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,2,3,3,3-hexafluoro-N,N-bis[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propyl]-2-(trifluoromethyl)propan-1-amine
CID 18981565
potassium 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-olate
CID 23686533
disodium;1,1,2,2,3,3,4,4-octafluorobutane-1,4-diolate
CID 170558309
lithium 1,1,1,2,3,3,3-heptafluoropropan-2-olate
CID 88813201
sodium trifluoromethanolate
CID 23669108
lithium trifluoromethanolate
CID 20660966
sodium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecan-1-olate
CID 176897459
1,1,1,2,3,3,3-heptafluoro-2-(trifluoromethyl)propane;1,1,2,2,3,3,4,4-octafluorocyclobutane
CID 175593131
potassium 1,1,3,3,4,4,4-heptafluoro-2,2-bis(trifluoromethyl)butan-1-olate
CID 156775939
bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-olate);molybdenum
CID 158302613
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctan-1-olate;tetramethylazanium
CID 162346584
2,2,3,4,4,5,5,5-octafluoro-3-(trifluoromethyl)pentanoyl fluoride
CID 90092935

Frequently Asked Questions

What is the IUPAC name of cobalt(3+);tris(1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propan-1-olate)?
The IUPAC name of cobalt(3+);tris(1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propan-1-olate) (CID 173155428) is cobalt(3+);tris(1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propan-1-olate).
What is the SMILES notation for cobalt(3+);tris(1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propan-1-olate)?
The canonical SMILES for cobalt(3+);tris(1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propan-1-olate) is [Co+3].[O-]C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.[O-]C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.[O-]C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of cobalt(3+);tris(1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propan-1-olate)?
The InChIKey is IBLWOMSBNVZTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4F9O.Co/c3*5-1(2(6,7)8,3(9,10)11)4(12,13)14;/q3*-1;+3.
What are the key properties of cobalt(3+);tris(1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propan-1-olate)?
cobalt(3+);tris(1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propan-1-olate) has a molecular weight of 764.01 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);tris(1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propan-1-olate) is sourced from PubChem (CID 173155428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).