cobalt(3+);tris(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)

C15H3CoF18O6 — CID 175687596

IUPACcobalt(3+);tris(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)
SMILESO=C(C=C([O-])C(F)(F)F)C(F)(F)F.O=C(C=C([O-])C(F)(F)F)C(F)(F)F.O=C(C=C([O-])C(F)(F)F)C(F)(F)F.[Co+3]
InChIInChI=1S/3C5H2F6O2.Co/c3*6-4(7,8)2(12)1-3(13)5(9,10)11;/h3*1,12H;/q;;;+3/p-3
InChIKeyFOIMOHDHAPBDSC-UHFFFAOYSA-K
MW680.08 g/mol
LogP2.77
Rot. Bonds3

About cobalt(3+);tris(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)

cobalt(3+);tris(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate) (PubChem CID 175687596) has the molecular formula C15H3CoF18O6 and a molecular weight of 680.08 g/mol. Its IUPAC name is cobalt(3+);tris(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate).

Molecular Properties

Compound Namecobalt(3+);tris(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)
PubChem CID175687596
Molecular FormulaC15H3CoF18O6
Molecular Weight680.08 g/mol
Exact Mass679.90
IUPAC Namecobalt(3+);tris(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)
SMILESO=C(C=C([O-])C(F)(F)F)C(F)(F)F.O=C(C=C([O-])C(F)(F)F)C(F)(F)F.O=C(C=C([O-])C(F)(F)F)C(F)(F)F.[Co+3]
InChIInChI=1S/3C5H2F6O2.Co/c3*6-4(7,8)2(12)1-3(13)5(9,10)11;/h3*1,12H;/q;;;+3/p-3
InChIKeyFOIMOHDHAPBDSC-UHFFFAOYSA-K
XLogP2.77
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500680.08
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze cobalt(3+);tris(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-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

cesium (Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate
CID 102602232
strontium bis(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)
CID 132989327
CID 170999876
CID 170999876
(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate;(E)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate;manganese(2+)
CID 50909026
CID 170997456
CID 170997456
oxidanium;copper(1+);bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)
CID 139133359
calcium;(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate;hydrate
CID 44717257
bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);molybdenum(2+);dihydrate
CID 175688119
copper(1+);ethenyl(trimethyl)silane;(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate
CID 165360048
dilithium;(2Z,5Z)-1,1,1,7,7,7-hexafluoro-4-oxohepta-2,5-diene-2,6-diolate
CID 91926473
magnesium (E)-1,1,1-trifluoro-4-oxopent-2-en-2-olate
CID 44717569
samarium(3+);(Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate
CID 15242750

Frequently Asked Questions

What is the IUPAC name of cobalt(3+);tris(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)?
The IUPAC name of cobalt(3+);tris(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate) (CID 175687596) is cobalt(3+);tris(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate).
What is the SMILES notation for cobalt(3+);tris(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)?
The canonical SMILES for cobalt(3+);tris(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate) is O=C(C=C([O-])C(F)(F)F)C(F)(F)F.O=C(C=C([O-])C(F)(F)F)C(F)(F)F.O=C(C=C([O-])C(F)(F)F)C(F)(F)F.[Co+3].
What is the InChIKey of cobalt(3+);tris(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)?
The InChIKey is FOIMOHDHAPBDSC-UHFFFAOYSA-K. The full InChI is InChI=1S/3C5H2F6O2.Co/c3*6-4(7,8)2(12)1-3(13)5(9,10)11;/h3*1,12H;/q;;;+3/p-3.
What are the key properties of cobalt(3+);tris(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)?
cobalt(3+);tris(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate) has a molecular weight of 680.08 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);tris(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate) is sourced from PubChem (CID 175687596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).