4-fluoro-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;4-fluoro-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-5-(trifluoromethyl)pyridine;pentakis(iridium);1-[4-methyl-6-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-3-pyridinyl]ethanone;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;N,N,5-trimethyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridin-4-amine

C62H28F45Ir5N6O-5 — CID 157122318

About 4-fluoro-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;4-fluoro-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-5-(trifluoromethyl)pyridine;pentakis(iridium);1-[4-methyl-6-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-3-pyridinyl]ethanone;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;N,N,5-trimethyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridin-4-amine

4-fluoro-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;4-fluoro-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-5-(trifluoromethyl)pyridine;pentakis(iridium);1-[4-methyl-6-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-3-pyridinyl]ethanone;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;N,N,5-trimethyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridin-4-amine (PubChem CID 157122318) has the molecular formula C62H28F45Ir5N6O-5 and a molecular weight of 2688.94 g/mol. Its IUPAC name is 4-fluoro-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;4-fluoro-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-5-(trifluoromethyl)pyridine;pentakis(iridium);1-[4-methyl-6-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-3-pyridinyl]ethanone;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;N,N,5-trimethyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridin-4-amine.

Molecular Properties

• Compound Name: 4-fluoro-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;4-fluoro-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-5-(trifluoromethyl)pyridine;pentakis(iridium);1-[4-methyl-6-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-3-pyridinyl]ethanone;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;N,N,5-trimethyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridin-4-amine
• PubChem CID: 157122318
• Molecular Formula: C62H28F45Ir5N6O-5
• Molecular Weight: 2688.94 g/mol
• Exact Mass: 2691.98
• IUPAC Name: 4-fluoro-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;4-fluoro-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-5-(trifluoromethyl)pyridine;pentakis(iridium);1-[4-methyl-6-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-3-pyridinyl]ethanone;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;N,N,5-trimethyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridin-4-amine
• SMILES: CC(=O)c1cnc(C2=[C-]C(F)(F)C(F)(F)C(F)(F)C2(F)F)cc1C.Cc1cnc(C2=[C-]C(F)(F)C(F)(F)C(F)(F)C2(F)F)cc1N(C)C.FC1(F)[C-]=C(c2ccccn2)C(F)(F)C(F)(F)C1(F)F.Fc1cc(C2=[C-]C(F)(F)C(F)(F)C(F)(F)C2(F)F)ncc1C(F)(F)F.Fc1ccnc(C2=[C-]C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C14H11F8N2.C14H8F8NO.C12H2F12N.C11H3F9N.C11H4F8N.5Ir/c1-7-6-23-9(4-10(7)24(2)3)8-5-11(15,16)13(19,20)14(21,22)12(8,17)18;1-6-3-10(23-5-8(6)7(2)24)9-4-11(15,16)13(19,20)14(21,22)12(9,17)18;13-6-1-7(25-3-5(6)10(18,19)20)4-2-8(14,15)11(21,22)12(23,24)9(4,16)17;12-5-1-2-21-7(3-5)6-4-8(13,14)10(17,18)11(19,20)9(6,15)16;12-8(13)5-6(7-3-1-2-4-20-7)9(14,15)11(18,19)10(8,16)17;;;;;/h4,6H,1-3H3;3,5H,1-2H3;1,3H;1-3H;1-4H;;;;;/q5*-1
• InChIKey: FHVMSMMNACLGFP-UHFFFAOYSA-N
• XLogP: 21.28
• TPSA: 84.76 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2688.94
LogP ≤ 5	21.28
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 4-fluoro-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;4-fluoro-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-5-(trifluoromethyl)pyridine;pentakis(iridium);1-[4-methyl-6-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-3-pyridinyl]ethanone;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;N,N,5-trimethyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridin-4-amine?

The IUPAC name of 4-fluoro-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;4-fluoro-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-5-(trifluoromethyl)pyridine;pentakis(iridium);1-[4-methyl-6-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-3-pyridinyl]ethanone;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;N,N,5-trimethyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridin-4-amine (CID 157122318) is 4-fluoro-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;4-fluoro-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-5-(trifluoromethyl)pyridine;pentakis(iridium);1-[4-methyl-6-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-3-pyridinyl]ethanone;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;N,N,5-trimethyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridin-4-amine.

What is the SMILES notation for 4-fluoro-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;4-fluoro-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-5-(trifluoromethyl)pyridine;pentakis(iridium);1-[4-methyl-6-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-3-pyridinyl]ethanone;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;N,N,5-trimethyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridin-4-amine?

The canonical SMILES for 4-fluoro-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;4-fluoro-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-5-(trifluoromethyl)pyridine;pentakis(iridium);1-[4-methyl-6-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-3-pyridinyl]ethanone;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;N,N,5-trimethyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridin-4-amine is CC(=O)c1cnc(C2=[C-]C(F)(F)C(F)(F)C(F)(F)C2(F)F)cc1C.Cc1cnc(C2=[C-]C(F)(F)C(F)(F)C(F)(F)C2(F)F)cc1N(C)C.FC1(F)[C-]=C(c2ccccn2)C(F)(F)C(F)(F)C1(F)F.Fc1cc(C2=[C-]C(F)(F)C(F)(F)C(F)(F)C2(F)F)ncc1C(F)(F)F.Fc1ccnc(C2=[C-]C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 4-fluoro-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;4-fluoro-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-5-(trifluoromethyl)pyridine;pentakis(iridium);1-[4-methyl-6-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-3-pyridinyl]ethanone;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;N,N,5-trimethyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridin-4-amine?

The InChIKey is FHVMSMMNACLGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F8N2.C14H8F8NO.C12H2F12N.C11H3F9N.C11H4F8N.5Ir/c1-7-6-23-9(4-10(7)24(2)3)8-5-11(15,16)13(19,20)14(21,22)12(8,17)18;1-6-3-10(23-5-8(6)7(2)24)9-4-11(15,16)13(19,20)14(21,22)12(9,17)18;13-6-1-7(25-3-5(6)10(18,19)20)4-2-8(14,15)11(21,22)12(23,24)9(4,16)17;12-5-1-2-21-7(3-5)6-4-8(13,14)10(17,18)11(19,20)9(6,15)16;12-8(13)5-6(7-3-1-2-4-20-7)9(14,15)11(18,19)10(8,16)17;;;;;/h4,6H,1-3H3;3,5H,1-2H3;1,3H;1-3H;1-4H;;;;;/q5*-1;;;;;.

What are the key properties of 4-fluoro-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;4-fluoro-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-5-(trifluoromethyl)pyridine;pentakis(iridium);1-[4-methyl-6-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-3-pyridinyl]ethanone;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;N,N,5-trimethyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridin-4-amine?

4-fluoro-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;4-fluoro-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-5-(trifluoromethyl)pyridine;pentakis(iridium);1-[4-methyl-6-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-3-pyridinyl]ethanone;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;N,N,5-trimethyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridin-4-amine has a molecular weight of 2688.94 g/mol, XLogP of 21.28, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;4-fluoro-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-5-(trifluoromethyl)pyridine;pentakis(iridium);1-[4-methyl-6-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-3-pyridinyl]ethanone;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine;N,N,5-trimethyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridin-4-amine is sourced from PubChem (CID 157122318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).