cobalt(2+);1,1,1,3,3,3-hexafluoropropan-2-yl (5Z)-5-[[3,5-dimethyl-4-(1,2,2,2-tetrafluoroethoxycarbonyl)pyrrol-1-id-2-yl]-(2-methoxy-4-methylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl (5Z)-5-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)-3,5-dimethylpyrrol-1-id-2-yl]-(2-methoxy-4-methylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate

C57H46CoF22N4O10 — CID 169046184

About cobalt(2+);1,1,1,3,3,3-hexafluoropropan-2-yl (5Z)-5-[[3,5-dimethyl-4-(1,2,2,2-tetrafluoroethoxycarbonyl)pyrrol-1-id-2-yl]-(2-methoxy-4-methylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl (5Z)-5-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)-3,5-dimethylpyrrol-1-id-2-yl]-(2-methoxy-4-methylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate

cobalt(2+);1,1,1,3,3,3-hexafluoropropan-2-yl (5Z)-5-[[3,5-dimethyl-4-(1,2,2,2-tetrafluoroethoxycarbonyl)pyrrol-1-id-2-yl]-(2-methoxy-4-methylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl (5Z)-5-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)-3,5-dimethylpyrrol-1-id-2-yl]-(2-methoxy-4-methylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate (PubChem CID 169046184) has the molecular formula C57H46CoF22N4O10 and a molecular weight of 1423.90 g/mol. Its IUPAC name is cobalt(2+);1,1,1,3,3,3-hexafluoropropan-2-yl (5Z)-5-[[3,5-dimethyl-4-(1,2,2,2-tetrafluoroethoxycarbonyl)pyrrol-1-id-2-yl]-(2-methoxy-4-methylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl (5Z)-5-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)-3,5-dimethylpyrrol-1-id-2-yl]-(2-methoxy-4-methylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate.

Molecular Properties

• Compound Name: cobalt(2+);1,1,1,3,3,3-hexafluoropropan-2-yl (5Z)-5-[[3,5-dimethyl-4-(1,2,2,2-tetrafluoroethoxycarbonyl)pyrrol-1-id-2-yl]-(2-methoxy-4-methylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl (5Z)-5-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)-3,5-dimethylpyrrol-1-id-2-yl]-(2-methoxy-4-methylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate
• PubChem CID: 169046184
• Molecular Formula: C57H46CoF22N4O10
• Molecular Weight: 1423.90 g/mol
• Exact Mass: 1423.22
• IUPAC Name: cobalt(2+);1,1,1,3,3,3-hexafluoropropan-2-yl (5Z)-5-[[3,5-dimethyl-4-(1,2,2,2-tetrafluoroethoxycarbonyl)pyrrol-1-id-2-yl]-(2-methoxy-4-methylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl (5Z)-5-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)-3,5-dimethylpyrrol-1-id-2-yl]-(2-methoxy-4-methylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate
• SMILES: COc1cc(C)ccc1/C(=C1/N=C(C)C(C(=O)OC(C(F)(F)F)C(F)(F)F)=C1C)c1[n-]c(C)c(C(=O)OC(C(F)(F)F)C(F)(F)F)c1C.COc1cc(C)ccc1/C(=C1/N=C(C)C(C(=O)OC(C(F)(F)F)C(F)(F)F)=C1C)c1[n-]c(C)c(C(=O)OC(F)C(F)(F)F)c1C.[Co+2]
• InChI: InChI=1S/C29H24F12N2O5.C28H24F10N2O5.Co/c1-10-7-8-15(16(9-10)46-6)19(20-11(2)17(13(4)42-20)22(44)47-24(26(30,31)32)27(33,34)35)21-12(3)18(14(5)43-21)23(45)48-25(28(36,37)38)29(39,40)41;1-10-7-8-15(16(9-10)43-6)19(21-12(3)18(14(5)40-21)23(42)45-25(29)28(36,37)38)20-11(2)17(13(4)39-20)22(41)44-24(26(30,31)32)27(33,34)35;/h7-9,24-25H,1-6H3,(H,42,43,44,45);7-9,24-25H,1-6H3,(H,39,40,41,42);/q;;+2/p-2
• InChIKey: GLHAMTRWWBNQHK-UHFFFAOYSA-L
• XLogP: 14.99
• TPSA: 176.58 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1423.90
LogP ≤ 5	14.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);1,1,1,3,3,3-hexafluoropropan-2-yl (5Z)-5-[[3,5-dimethyl-4-(1,2,2,2-tetrafluoroethoxycarbonyl)pyrrol-1-id-2-yl]-(2-methoxy-4-methylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl (5Z)-5-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)-3,5-dimethylpyrrol-1-id-2-yl]-(2-methoxy-4-methylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate?

The IUPAC name of cobalt(2+);1,1,1,3,3,3-hexafluoropropan-2-yl (5Z)-5-[[3,5-dimethyl-4-(1,2,2,2-tetrafluoroethoxycarbonyl)pyrrol-1-id-2-yl]-(2-methoxy-4-methylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl (5Z)-5-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)-3,5-dimethylpyrrol-1-id-2-yl]-(2-methoxy-4-methylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate (CID 169046184) is cobalt(2+);1,1,1,3,3,3-hexafluoropropan-2-yl (5Z)-5-[[3,5-dimethyl-4-(1,2,2,2-tetrafluoroethoxycarbonyl)pyrrol-1-id-2-yl]-(2-methoxy-4-methylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl (5Z)-5-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)-3,5-dimethylpyrrol-1-id-2-yl]-(2-methoxy-4-methylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate.

What is the SMILES notation for cobalt(2+);1,1,1,3,3,3-hexafluoropropan-2-yl (5Z)-5-[[3,5-dimethyl-4-(1,2,2,2-tetrafluoroethoxycarbonyl)pyrrol-1-id-2-yl]-(2-methoxy-4-methylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl (5Z)-5-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)-3,5-dimethylpyrrol-1-id-2-yl]-(2-methoxy-4-methylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate?

The canonical SMILES for cobalt(2+);1,1,1,3,3,3-hexafluoropropan-2-yl (5Z)-5-[[3,5-dimethyl-4-(1,2,2,2-tetrafluoroethoxycarbonyl)pyrrol-1-id-2-yl]-(2-methoxy-4-methylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl (5Z)-5-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)-3,5-dimethylpyrrol-1-id-2-yl]-(2-methoxy-4-methylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate is COc1cc(C)ccc1/C(=C1/N=C(C)C(C(=O)OC(C(F)(F)F)C(F)(F)F)=C1C)c1[n-]c(C)c(C(=O)OC(C(F)(F)F)C(F)(F)F)c1C.COc1cc(C)ccc1/C(=C1/N=C(C)C(C(=O)OC(C(F)(F)F)C(F)(F)F)=C1C)c1[n-]c(C)c(C(=O)OC(F)C(F)(F)F)c1C.[Co+2].

What is the InChIKey of cobalt(2+);1,1,1,3,3,3-hexafluoropropan-2-yl (5Z)-5-[[3,5-dimethyl-4-(1,2,2,2-tetrafluoroethoxycarbonyl)pyrrol-1-id-2-yl]-(2-methoxy-4-methylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl (5Z)-5-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)-3,5-dimethylpyrrol-1-id-2-yl]-(2-methoxy-4-methylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate?

The InChIKey is GLHAMTRWWBNQHK-UHFFFAOYSA-L. The full InChI is InChI=1S/C29H24F12N2O5.C28H24F10N2O5.Co/c1-10-7-8-15(16(9-10)46-6)19(20-11(2)17(13(4)42-20)22(44)47-24(26(30,31)32)27(33,34)35)21-12(3)18(14(5)43-21)23(45)48-25(28(36,37)38)29(39,40)41;1-10-7-8-15(16(9-10)43-6)19(21-12(3)18(14(5)40-21)23(42)45-25(29)28(36,37)38)20-11(2)17(13(4)39-20)22(41)44-24(26(30,31)32)27(33,34)35;/h7-9,24-25H,1-6H3,(H,42,43,44,45);7-9,24-25H,1-6H3,(H,39,40,41,42);/q;;+2/p-2.

What are the key properties of cobalt(2+);1,1,1,3,3,3-hexafluoropropan-2-yl (5Z)-5-[[3,5-dimethyl-4-(1,2,2,2-tetrafluoroethoxycarbonyl)pyrrol-1-id-2-yl]-(2-methoxy-4-methylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl (5Z)-5-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)-3,5-dimethylpyrrol-1-id-2-yl]-(2-methoxy-4-methylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate?

cobalt(2+);1,1,1,3,3,3-hexafluoropropan-2-yl (5Z)-5-[[3,5-dimethyl-4-(1,2,2,2-tetrafluoroethoxycarbonyl)pyrrol-1-id-2-yl]-(2-methoxy-4-methylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl (5Z)-5-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)-3,5-dimethylpyrrol-1-id-2-yl]-(2-methoxy-4-methylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate has a molecular weight of 1423.90 g/mol, XLogP of 14.99, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for cobalt(2+);1,1,1,3,3,3-hexafluoropropan-2-yl (5Z)-5-[[3,5-dimethyl-4-(1,2,2,2-tetrafluoroethoxycarbonyl)pyrrol-1-id-2-yl]-(2-methoxy-4-methylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl (5Z)-5-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)-3,5-dimethylpyrrol-1-id-2-yl]-(2-methoxy-4-methylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate is sourced from PubChem (CID 169046184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).