cobalt(2+);bis(pyridine);bis((Z)-1,1,1-trifluoro-4-(4-methoxyphenyl)-4-oxobut-2-en-2-olate)

C32H26CoF6N2O6 — CID 139073771

About cobalt(2+);bis(pyridine);bis((Z)-1,1,1-trifluoro-4-(4-methoxyphenyl)-4-oxobut-2-en-2-olate)

cobalt(2+);bis(pyridine);bis((Z)-1,1,1-trifluoro-4-(4-methoxyphenyl)-4-oxobut-2-en-2-olate) (PubChem CID 139073771) has the molecular formula C32H26CoF6N2O6 and a molecular weight of 707.49 g/mol. Its IUPAC name is cobalt(2+);bis(pyridine);bis((Z)-1,1,1-trifluoro-4-(4-methoxyphenyl)-4-oxobut-2-en-2-olate).

Molecular Properties

• Compound Name: cobalt(2+);bis(pyridine);bis((Z)-1,1,1-trifluoro-4-(4-methoxyphenyl)-4-oxobut-2-en-2-olate)
• PubChem CID: 139073771
• Molecular Formula: C32H26CoF6N2O6
• Molecular Weight: 707.49 g/mol
• Exact Mass: 707.10
• IUPAC Name: cobalt(2+);bis(pyridine);bis((Z)-1,1,1-trifluoro-4-(4-methoxyphenyl)-4-oxobut-2-en-2-olate)
• SMILES: COc1ccc(C(=O)/C=C(\[O-])C(F)(F)F)cc1.COc1ccc(C(=O)/C=C(\[O-])C(F)(F)F)cc1.[Co+2].c1ccncc1.c1ccncc1
• InChI: InChI=1S/2C11H9F3O3.2C5H5N.Co/c2*1-17-8-4-2-7(3-5-8)9(15)6-10(16)11(12,13)14;2*1-2-4-6-5-3-1;/h2*2-6,16H,1H3;2*1-5H;/q;;;;+2/p-2/b2*10-6-
• InChIKey: ZYAMWPXKGOYCSV-RLTQQOIGSA-L
• XLogP: 5.53
• TPSA: 124.50 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	707.49
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis(pyridine);bis((Z)-1,1,1-trifluoro-4-(4-methoxyphenyl)-4-oxobut-2-en-2-olate)?

The IUPAC name of cobalt(2+);bis(pyridine);bis((Z)-1,1,1-trifluoro-4-(4-methoxyphenyl)-4-oxobut-2-en-2-olate) (CID 139073771) is cobalt(2+);bis(pyridine);bis((Z)-1,1,1-trifluoro-4-(4-methoxyphenyl)-4-oxobut-2-en-2-olate).

What is the SMILES notation for cobalt(2+);bis(pyridine);bis((Z)-1,1,1-trifluoro-4-(4-methoxyphenyl)-4-oxobut-2-en-2-olate)?

The canonical SMILES for cobalt(2+);bis(pyridine);bis((Z)-1,1,1-trifluoro-4-(4-methoxyphenyl)-4-oxobut-2-en-2-olate) is COc1ccc(C(=O)/C=C(\[O-])C(F)(F)F)cc1.COc1ccc(C(=O)/C=C(\[O-])C(F)(F)F)cc1.[Co+2].c1ccncc1.c1ccncc1.

What is the InChIKey of cobalt(2+);bis(pyridine);bis((Z)-1,1,1-trifluoro-4-(4-methoxyphenyl)-4-oxobut-2-en-2-olate)?

The InChIKey is ZYAMWPXKGOYCSV-RLTQQOIGSA-L. The full InChI is InChI=1S/2C11H9F3O3.2C5H5N.Co/c2*1-17-8-4-2-7(3-5-8)9(15)6-10(16)11(12,13)14;2*1-2-4-6-5-3-1;/h2*2-6,16H,1H3;2*1-5H;/q;;;;+2/p-2/b2*10-6-;;;.

What are the key properties of cobalt(2+);bis(pyridine);bis((Z)-1,1,1-trifluoro-4-(4-methoxyphenyl)-4-oxobut-2-en-2-olate)?

cobalt(2+);bis(pyridine);bis((Z)-1,1,1-trifluoro-4-(4-methoxyphenyl)-4-oxobut-2-en-2-olate) has a molecular weight of 707.49 g/mol, XLogP of 5.53, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for cobalt(2+);bis(pyridine);bis((Z)-1,1,1-trifluoro-4-(4-methoxyphenyl)-4-oxobut-2-en-2-olate) is sourced from PubChem (CID 139073771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).