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

C34H37CoF18NO6 — CID 139182362

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

cobalt(2+);tris((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);1-tetradecylpyridin-1-ium (PubChem CID 139182362) has the molecular formula C34H37CoF18NO6 and a molecular weight of 956.57 g/mol. Its IUPAC name is cobalt(2+);tris((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);1-tetradecylpyridin-1-ium.

Molecular Properties

• Compound Name: cobalt(2+);tris((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);1-tetradecylpyridin-1-ium
• PubChem CID: 139182362
• Molecular Formula: C34H37CoF18NO6
• Molecular Weight: 956.57 g/mol
• Exact Mass: 956.17
• IUPAC Name: cobalt(2+);tris((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);1-tetradecylpyridin-1-ium
• SMILES: CCCCCCCCCCCCCC[n+]1ccccc1.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+2]
• InChI: InChI=1S/C19H34N.3C5H2F6O2.Co/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20;3*6-4(7,8)2(12)1-3(13)5(9,10)11;/h13,15-16,18-19H,2-12,14,17H2,1H3;3*1,12H;/q+1;;;;+2/p-3/b;3*2-1-
• InChIKey: RFBSCTVTHORHPE-YSQFZSNXSA-K
• XLogP: 8.45
• TPSA: 124.27 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 16
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	956.57
LogP ≤ 5	8.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);tris((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);1-tetradecylpyridin-1-ium?

The IUPAC name of cobalt(2+);tris((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);1-tetradecylpyridin-1-ium (CID 139182362) is cobalt(2+);tris((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);1-tetradecylpyridin-1-ium.

What is the SMILES notation for cobalt(2+);tris((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);1-tetradecylpyridin-1-ium?

The canonical SMILES for cobalt(2+);tris((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);1-tetradecylpyridin-1-ium is CCCCCCCCCCCCCC[n+]1ccccc1.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+2].

What is the InChIKey of cobalt(2+);tris((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);1-tetradecylpyridin-1-ium?

The InChIKey is RFBSCTVTHORHPE-YSQFZSNXSA-K. The full InChI is InChI=1S/C19H34N.3C5H2F6O2.Co/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20;3*6-4(7,8)2(12)1-3(13)5(9,10)11;/h13,15-16,18-19H,2-12,14,17H2,1H3;3*1,12H;/q+1;;;;+2/p-3/b;3*2-1-;.

What are the key properties of cobalt(2+);tris((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);1-tetradecylpyridin-1-ium?

cobalt(2+);tris((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);1-tetradecylpyridin-1-ium has a molecular weight of 956.57 g/mol, XLogP of 8.45, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for cobalt(2+);tris((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);1-tetradecylpyridin-1-ium is sourced from PubChem (CID 139182362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).