2-(6,6-difluorocyclohexen-1-yl)pyridine;2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluoro-3-methylbenzene-6-id-1-yl)pyridine;2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-4-methoxypyridine;2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine;4-hydroxypent-3-en-2-ylideneoxidanium;pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;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)-4-(trifluoromethyl)pyridine

C108H69F40Ir5N9O3-8 — CID 157452263

About 2-(6,6-difluorocyclohexen-1-yl)pyridine;2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluoro-3-methylbenzene-6-id-1-yl)pyridine;2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-4-methoxypyridine;2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine;4-hydroxypent-3-en-2-ylideneoxidanium;pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;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)-4-(trifluoromethyl)pyridine

2-(6,6-difluorocyclohexen-1-yl)pyridine;2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluoro-3-methylbenzene-6-id-1-yl)pyridine;2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-4-methoxypyridine;2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine;4-hydroxypent-3-en-2-ylideneoxidanium;pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;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)-4-(trifluoromethyl)pyridine (PubChem CID 157452263) has the molecular formula C108H69F40Ir5N9O3-8 and a molecular weight of 3261.80 g/mol. Its IUPAC name is 2-(6,6-difluorocyclohexen-1-yl)pyridine;2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluoro-3-methylbenzene-6-id-1-yl)pyridine;2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-4-methoxypyridine;2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine;4-hydroxypent-3-en-2-ylideneoxidanium;pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;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)-4-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: 2-(6,6-difluorocyclohexen-1-yl)pyridine;2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluoro-3-methylbenzene-6-id-1-yl)pyridine;2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-4-methoxypyridine;2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine;4-hydroxypent-3-en-2-ylideneoxidanium;pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;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)-4-(trifluoromethyl)pyridine
• PubChem CID: 157452263
• Molecular Formula: C108H69F40Ir5N9O3-8
• Molecular Weight: 3261.80 g/mol
• Exact Mass: 3264.31
• IUPAC Name: 2-(6,6-difluorocyclohexen-1-yl)pyridine;2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluoro-3-methylbenzene-6-id-1-yl)pyridine;2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-4-methoxypyridine;2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine;4-hydroxypent-3-en-2-ylideneoxidanium;pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;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)-4-(trifluoromethyl)pyridine
• SMILES: COc1ccnc(C2=[C-]C(F)(F)C(F)(F)C2(F)F)c1.Cc1c[c-]c(-c2ccccn2)cc1.Cc1cc(-c2ccccn2)[c-]cc1F.Cc1ccnc(-c2[c-]cc(F)c(C(F)(F)F)c2F)c1.FC(F)(F)c1ccnc(C2=[C-]C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1.FC1(F)CCC[C-]=C1c1ccccn1.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.Fc1c[c-]c(-c2ccccn2)cc1.[H]/[O+]=C(\C)C=C(C)O.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C13H7F5N.C12H3F11N.C12H9FN.C12H10N.C11H4F8N.C11H6F6NO.C11H10F2N.C11H7FN.C10H4F6N.C5H8O2.5Ir/c1-7-4-5-19-10(6-7)8-2-3-9(14)11(12(8)15)13(16,17)18;13-8(14)4-6(9(15,16)12(22,23)11(8,20)21)7-3-5(1-2-24-7)10(17,18)19;1-9-8-10(5-6-11(9)13)12-4-2-3-7-14-12;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;12-8(13)5-6(7-3-1-2-4-20-7)9(14,15)11(18,19)10(8,16)17;1-19-6-2-3-18-8(4-6)7-5-9(12,13)11(16,17)10(7,14)15;12-11(13)7-3-1-5-9(11)10-6-2-4-8-14-10;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;11-8(12)5-6(7-3-1-2-4-17-7)9(13,14)10(8,15)16;1-4(6)3-5(2)7;;;;;/h3-6H,1H3;1-3H;2-4,6-8H,1H3;2-7,9H,1H3;1-4H;2-4H,1H3;2,4,6,8H,1,3,7H2;1-4,6-8H;1-4H;3,6H,1-2H3;;;;;/q9*-1;;;;;;/p+1
• InChIKey: ADGRQJYZRKRDOC-UHFFFAOYSA-O
• XLogP: 31.83
• TPSA: 166.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3261.80
LogP ≤ 5	31.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(6,6-difluorocyclohexen-1-yl)pyridine;2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluoro-3-methylbenzene-6-id-1-yl)pyridine;2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-4-methoxypyridine;2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine;4-hydroxypent-3-en-2-ylideneoxidanium;pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;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)-4-(trifluoromethyl)pyridine?

The IUPAC name of 2-(6,6-difluorocyclohexen-1-yl)pyridine;2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluoro-3-methylbenzene-6-id-1-yl)pyridine;2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-4-methoxypyridine;2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine;4-hydroxypent-3-en-2-ylideneoxidanium;pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;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)-4-(trifluoromethyl)pyridine (CID 157452263) is 2-(6,6-difluorocyclohexen-1-yl)pyridine;2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluoro-3-methylbenzene-6-id-1-yl)pyridine;2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-4-methoxypyridine;2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine;4-hydroxypent-3-en-2-ylideneoxidanium;pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;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)-4-(trifluoromethyl)pyridine.

What is the SMILES notation for 2-(6,6-difluorocyclohexen-1-yl)pyridine;2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluoro-3-methylbenzene-6-id-1-yl)pyridine;2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-4-methoxypyridine;2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine;4-hydroxypent-3-en-2-ylideneoxidanium;pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;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)-4-(trifluoromethyl)pyridine?

The canonical SMILES for 2-(6,6-difluorocyclohexen-1-yl)pyridine;2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluoro-3-methylbenzene-6-id-1-yl)pyridine;2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-4-methoxypyridine;2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine;4-hydroxypent-3-en-2-ylideneoxidanium;pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;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)-4-(trifluoromethyl)pyridine is COc1ccnc(C2=[C-]C(F)(F)C(F)(F)C2(F)F)c1.Cc1c[c-]c(-c2ccccn2)cc1.Cc1cc(-c2ccccn2)[c-]cc1F.Cc1ccnc(-c2[c-]cc(F)c(C(F)(F)F)c2F)c1.FC(F)(F)c1ccnc(C2=[C-]C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1.FC1(F)CCC[C-]=C1c1ccccn1.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.Fc1c[c-]c(-c2ccccn2)cc1.[H]/[O+]=C(\C)C=C(C)O.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 2-(6,6-difluorocyclohexen-1-yl)pyridine;2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluoro-3-methylbenzene-6-id-1-yl)pyridine;2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-4-methoxypyridine;2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine;4-hydroxypent-3-en-2-ylideneoxidanium;pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;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)-4-(trifluoromethyl)pyridine?

The InChIKey is ADGRQJYZRKRDOC-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H7F5N.C12H3F11N.C12H9FN.C12H10N.C11H4F8N.C11H6F6NO.C11H10F2N.C11H7FN.C10H4F6N.C5H8O2.5Ir/c1-7-4-5-19-10(6-7)8-2-3-9(14)11(12(8)15)13(16,17)18;13-8(14)4-6(9(15,16)12(22,23)11(8,20)21)7-3-5(1-2-24-7)10(17,18)19;1-9-8-10(5-6-11(9)13)12-4-2-3-7-14-12;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;12-8(13)5-6(7-3-1-2-4-20-7)9(14,15)11(18,19)10(8,16)17;1-19-6-2-3-18-8(4-6)7-5-9(12,13)11(16,17)10(7,14)15;12-11(13)7-3-1-5-9(11)10-6-2-4-8-14-10;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;11-8(12)5-6(7-3-1-2-4-17-7)9(13,14)10(8,15)16;1-4(6)3-5(2)7;;;;;/h3-6H,1H3;1-3H;2-4,6-8H,1H3;2-7,9H,1H3;1-4H;2-4H,1H3;2,4,6,8H,1,3,7H2;1-4,6-8H;1-4H;3,6H,1-2H3;;;;;/q9*-1;;;;;;/p+1.

What are the key properties of 2-(6,6-difluorocyclohexen-1-yl)pyridine;2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluoro-3-methylbenzene-6-id-1-yl)pyridine;2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-4-methoxypyridine;2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine;4-hydroxypent-3-en-2-ylideneoxidanium;pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;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)-4-(trifluoromethyl)pyridine?

2-(6,6-difluorocyclohexen-1-yl)pyridine;2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluoro-3-methylbenzene-6-id-1-yl)pyridine;2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-4-methoxypyridine;2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine;4-hydroxypent-3-en-2-ylideneoxidanium;pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;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)-4-(trifluoromethyl)pyridine has a molecular weight of 3261.80 g/mol, XLogP of 31.83, 11 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6,6-difluorocyclohexen-1-yl)pyridine;2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluoro-3-methylbenzene-6-id-1-yl)pyridine;2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-4-methoxypyridine;2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine;4-hydroxypent-3-en-2-ylideneoxidanium;pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;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)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 157452263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).