cobalt(3+);tris(1,1,1,5,5,5-hexafluoropentane-2,4-dione)

C15H3CoF18O6 — CID 121233183

IUPACcobalt(3+);tris(1,1,1,5,5,5-hexafluoropentane-2,4-dione)
SMILESO=C([CH-]C(=O)C(F)(F)F)C(F)(F)F.O=C([CH-]C(=O)C(F)(F)F)C(F)(F)F.O=C([CH-]C(=O)C(F)(F)F)C(F)(F)F.[Co+3]
InChIInChI=1S/3C5HF6O2.Co/c3*6-4(7,8)2(12)1-3(13)5(9,10)11;/h3*1H;/q3*-1;+3
InChIKeyATFGPNVCOVFUOX-UHFFFAOYSA-N
MW680.08 g/mol
LogP4.36
Rot. Bonds6

About cobalt(3+);tris(1,1,1,5,5,5-hexafluoropentane-2,4-dione)

cobalt(3+);tris(1,1,1,5,5,5-hexafluoropentane-2,4-dione) (PubChem CID 121233183) 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-hexafluoropentane-2,4-dione).

Molecular Properties

Compound Namecobalt(3+);tris(1,1,1,5,5,5-hexafluoropentane-2,4-dione)
PubChem CID121233183
Molecular FormulaC15H3CoF18O6
Molecular Weight680.08 g/mol
Exact Mass679.90
IUPAC Namecobalt(3+);tris(1,1,1,5,5,5-hexafluoropentane-2,4-dione)
SMILESO=C([CH-]C(=O)C(F)(F)F)C(F)(F)F.O=C([CH-]C(=O)C(F)(F)F)C(F)(F)F.O=C([CH-]C(=O)C(F)(F)F)C(F)(F)F.[Co+3]
InChIInChI=1S/3C5HF6O2.Co/c3*6-4(7,8)2(12)1-3(13)5(9,10)11;/h3*1H;/q3*-1;+3
InChIKeyATFGPNVCOVFUOX-UHFFFAOYSA-N
XLogP4.36
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500680.08
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cobalt(3+);tris(1,1,1,5,5,5-hexafluoropentane-2,4-dione)?
The IUPAC name of cobalt(3+);tris(1,1,1,5,5,5-hexafluoropentane-2,4-dione) (CID 121233183) is cobalt(3+);tris(1,1,1,5,5,5-hexafluoropentane-2,4-dione).
What is the SMILES notation for cobalt(3+);tris(1,1,1,5,5,5-hexafluoropentane-2,4-dione)?
The canonical SMILES for cobalt(3+);tris(1,1,1,5,5,5-hexafluoropentane-2,4-dione) is O=C([CH-]C(=O)C(F)(F)F)C(F)(F)F.O=C([CH-]C(=O)C(F)(F)F)C(F)(F)F.O=C([CH-]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-hexafluoropentane-2,4-dione)?
The InChIKey is ATFGPNVCOVFUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5HF6O2.Co/c3*6-4(7,8)2(12)1-3(13)5(9,10)11;/h3*1H;/q3*-1;+3.
What are the key properties of cobalt(3+);tris(1,1,1,5,5,5-hexafluoropentane-2,4-dione)?
cobalt(3+);tris(1,1,1,5,5,5-hexafluoropentane-2,4-dione) has a molecular weight of 680.08 g/mol, XLogP of 4.36, 6 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-hexafluoropentane-2,4-dione) is sourced from PubChem (CID 121233183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).