N,N-dimethyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridin-4-amine;2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine;pentakis(iridium);4-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;2,2,5,5-tetrafluoro-3-pyridin-2-ylcyclopent-3-en-1-one

C56H27F34Ir5N6O-5 — CID 161395856

About N,N-dimethyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridin-4-amine;2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine;pentakis(iridium);4-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;2,2,5,5-tetrafluoro-3-pyridin-2-ylcyclopent-3-en-1-one

N,N-dimethyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridin-4-amine;2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine;pentakis(iridium);4-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;2,2,5,5-tetrafluoro-3-pyridin-2-ylcyclopent-3-en-1-one (PubChem CID 161395856) has the molecular formula C56H27F34Ir5N6O-5 and a molecular weight of 2406.89 g/mol. Its IUPAC name is N,N-dimethyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridin-4-amine;2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine;pentakis(iridium);4-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;2,2,5,5-tetrafluoro-3-pyridin-2-ylcyclopent-3-en-1-one.

Molecular Properties

• Compound Name: N,N-dimethyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridin-4-amine;2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine;pentakis(iridium);4-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;2,2,5,5-tetrafluoro-3-pyridin-2-ylcyclopent-3-en-1-one
• PubChem CID: 161395856
• Molecular Formula: C56H27F34Ir5N6O-5
• Molecular Weight: 2406.89 g/mol
• Exact Mass: 2409.99
• IUPAC Name: N,N-dimethyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridin-4-amine;2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine;pentakis(iridium);4-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;2,2,5,5-tetrafluoro-3-pyridin-2-ylcyclopent-3-en-1-one
• SMILES: CN(C)c1ccnc(C2=[C-]C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1.Cc1ccnc(C2=[C-]C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1.FC1(F)[C-]=C(c2ccccn2)C(F)(F)C(F)(F)C1(F)F.FC1(F)[C-]=C(c2ccccn2)C(F)(F)C1(F)F.O=C1C(F)(F)[C-]=C(c2ccccn2)C1(F)F.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C13H9F8N2.C12H6F8N.C11H4F8N.C10H4F6N.C10H4F4NO.5Ir/c1-23(2)7-3-4-22-9(5-7)8-6-10(14,15)12(18,19)13(20,21)11(8,16)17;1-6-2-3-21-8(4-6)7-5-9(13,14)11(17,18)12(19,20)10(7,15)16;12-8(13)5-6(7-3-1-2-4-20-7)9(14,15)11(18,19)10(8,16)17;11-8(12)5-6(7-3-1-2-4-17-7)9(13,14)10(8,15)16;11-9(12)5-6(10(13,14)8(9)16)7-3-1-2-4-15-7;;;;;/h3-5H,1-2H3;2-4H,1H3;1-4H;1-4H;1-4H;;;;;/q5*-1
• InChIKey: LELFVKRLXJKFAC-UHFFFAOYSA-N
• XLogP: 17.14
• TPSA: 84.76 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2406.89
LogP ≤ 5	17.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridin-4-amine;2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine;pentakis(iridium);4-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;2,2,5,5-tetrafluoro-3-pyridin-2-ylcyclopent-3-en-1-one?

The IUPAC name of N,N-dimethyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridin-4-amine;2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine;pentakis(iridium);4-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;2,2,5,5-tetrafluoro-3-pyridin-2-ylcyclopent-3-en-1-one (CID 161395856) is N,N-dimethyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridin-4-amine;2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine;pentakis(iridium);4-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;2,2,5,5-tetrafluoro-3-pyridin-2-ylcyclopent-3-en-1-one.

What is the SMILES notation for N,N-dimethyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridin-4-amine;2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine;pentakis(iridium);4-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;2,2,5,5-tetrafluoro-3-pyridin-2-ylcyclopent-3-en-1-one?

The canonical SMILES for N,N-dimethyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridin-4-amine;2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine;pentakis(iridium);4-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;2,2,5,5-tetrafluoro-3-pyridin-2-ylcyclopent-3-en-1-one is CN(C)c1ccnc(C2=[C-]C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1.Cc1ccnc(C2=[C-]C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1.FC1(F)[C-]=C(c2ccccn2)C(F)(F)C(F)(F)C1(F)F.FC1(F)[C-]=C(c2ccccn2)C(F)(F)C1(F)F.O=C1C(F)(F)[C-]=C(c2ccccn2)C1(F)F.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of N,N-dimethyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridin-4-amine;2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine;pentakis(iridium);4-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;2,2,5,5-tetrafluoro-3-pyridin-2-ylcyclopent-3-en-1-one?

The InChIKey is LELFVKRLXJKFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F8N2.C12H6F8N.C11H4F8N.C10H4F6N.C10H4F4NO.5Ir/c1-23(2)7-3-4-22-9(5-7)8-6-10(14,15)12(18,19)13(20,21)11(8,16)17;1-6-2-3-21-8(4-6)7-5-9(13,14)11(17,18)12(19,20)10(7,15)16;12-8(13)5-6(7-3-1-2-4-20-7)9(14,15)11(18,19)10(8,16)17;11-8(12)5-6(7-3-1-2-4-17-7)9(13,14)10(8,15)16;11-9(12)5-6(10(13,14)8(9)16)7-3-1-2-4-15-7;;;;;/h3-5H,1-2H3;2-4H,1H3;1-4H;1-4H;1-4H;;;;;/q5*-1;;;;;.

What are the key properties of N,N-dimethyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridin-4-amine;2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine;pentakis(iridium);4-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;2,2,5,5-tetrafluoro-3-pyridin-2-ylcyclopent-3-en-1-one?

N,N-dimethyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridin-4-amine;2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine;pentakis(iridium);4-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;2,2,5,5-tetrafluoro-3-pyridin-2-ylcyclopent-3-en-1-one has a molecular weight of 2406.89 g/mol, XLogP of 17.14, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridin-4-amine;2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine;pentakis(iridium);4-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;2,2,5,5-tetrafluoro-3-pyridin-2-ylcyclopent-3-en-1-one is sourced from PubChem (CID 161395856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).