1-(2,2,3,3,4,4,5,5,6,6-decafluorohexyl)-2,4,6-trimethylpyridin-1-ium;3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyridin-1-ium;3,5-dimethyl-1-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)pyridin-1-ium;4-isocyano-1-(trifluoromethyl)pyridin-1-ium;methane;1-methyl-1-(trifluoromethyl)piperidin-1-ium-3-one;bis(4-methyl-1-(trifluoromethyl)pyridin-1-ium);4-methyl-1-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)pyridin-1-ium;1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridin-1-ium;1-(trifluoromethyl)pyridin-1-ium;2,4,6-trimethyl-1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecyl)pyridin-1-ium

C122H141F82N12O+11 — CID 162162874

About 1-(2,2,3,3,4,4,5,5,6,6-decafluorohexyl)-2,4,6-trimethylpyridin-1-ium;3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyridin-1-ium;3,5-dimethyl-1-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)pyridin-1-ium;4-isocyano-1-(trifluoromethyl)pyridin-1-ium;methane;1-methyl-1-(trifluoromethyl)piperidin-1-ium-3-one;bis(4-methyl-1-(trifluoromethyl)pyridin-1-ium);4-methyl-1-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)pyridin-1-ium;1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridin-1-ium;1-(trifluoromethyl)pyridin-1-ium;2,4,6-trimethyl-1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecyl)pyridin-1-ium

1-(2,2,3,3,4,4,5,5,6,6-decafluorohexyl)-2,4,6-trimethylpyridin-1-ium;3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyridin-1-ium;3,5-dimethyl-1-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)pyridin-1-ium;4-isocyano-1-(trifluoromethyl)pyridin-1-ium;methane;1-methyl-1-(trifluoromethyl)piperidin-1-ium-3-one;bis(4-methyl-1-(trifluoromethyl)pyridin-1-ium);4-methyl-1-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)pyridin-1-ium;1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridin-1-ium;1-(trifluoromethyl)pyridin-1-ium;2,4,6-trimethyl-1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecyl)pyridin-1-ium (PubChem CID 162162874) has the molecular formula C122H141F82N12O+11 and a molecular weight of 3349.39 g/mol. Its IUPAC name is 1-(2,2,3,3,4,4,5,5,6,6-decafluorohexyl)-2,4,6-trimethylpyridin-1-ium;3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyridin-1-ium;3,5-dimethyl-1-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)pyridin-1-ium;4-isocyano-1-(trifluoromethyl)pyridin-1-ium;methane;1-methyl-1-(trifluoromethyl)piperidin-1-ium-3-one;bis(4-methyl-1-(trifluoromethyl)pyridin-1-ium);4-methyl-1-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)pyridin-1-ium;1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridin-1-ium;1-(trifluoromethyl)pyridin-1-ium;2,4,6-trimethyl-1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecyl)pyridin-1-ium.

Molecular Properties

• Compound Name: 1-(2,2,3,3,4,4,5,5,6,6-decafluorohexyl)-2,4,6-trimethylpyridin-1-ium;3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyridin-1-ium;3,5-dimethyl-1-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)pyridin-1-ium;4-isocyano-1-(trifluoromethyl)pyridin-1-ium;methane;1-methyl-1-(trifluoromethyl)piperidin-1-ium-3-one;bis(4-methyl-1-(trifluoromethyl)pyridin-1-ium);4-methyl-1-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)pyridin-1-ium;1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridin-1-ium;1-(trifluoromethyl)pyridin-1-ium;2,4,6-trimethyl-1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecyl)pyridin-1-ium
• PubChem CID: 162162874
• Molecular Formula: C122H141F82N12O+11
• Molecular Weight: 3349.39 g/mol
• Exact Mass: 3348.00
• IUPAC Name: 1-(2,2,3,3,4,4,5,5,6,6-decafluorohexyl)-2,4,6-trimethylpyridin-1-ium;3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyridin-1-ium;3,5-dimethyl-1-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)pyridin-1-ium;4-isocyano-1-(trifluoromethyl)pyridin-1-ium;methane;1-methyl-1-(trifluoromethyl)piperidin-1-ium-3-one;bis(4-methyl-1-(trifluoromethyl)pyridin-1-ium);4-methyl-1-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)pyridin-1-ium;1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridin-1-ium;1-(trifluoromethyl)pyridin-1-ium;2,4,6-trimethyl-1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecyl)pyridin-1-ium
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C[N+]1(C(F)(F)F)CCCC(=O)C1.Cc1cc(C)[n+](CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(C)c1.Cc1cc(C)[n+](CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)c(C)c1.Cc1cc(C)c[n+](CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1.Cc1cc(C)c[n+](CC(F)(F)F)c1.Cc1cc[n+](C(F)(F)F)cc1.Cc1cc[n+](C(F)(F)F)cc1.Cc1cc[n+](CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1.FC(F)(F)C(F)(F)C(F)(F)C(F)(F)[n+]1ccccc1.FC(F)(F)[n+]1ccccc1.[C-]#[N+]c1cc[n+](C(F)(F)F)cc1
• InChI: InChI=1S/C20H13F23N.C14H14F10N.C13H11F11N.C12H9F11N.C9H5F9N.C9H11F3N.C7H4F3N2.C7H11F3NO.2C7H7F3N.C6H5F3N.11CH4/c1-7-4-8(2)44(9(3)5-7)6-10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)15(31,32)16(33,34)17(35,36)18(37,38)19(39,40)20(41,42)43;1-7-4-8(2)25(9(3)5-7)6-11(17,18)13(21,22)14(23,24)12(19,20)10(15)16;1-7-3-8(2)5-25(4-7)6-9(14,15)10(16,17)11(18,19)12(20,21)13(22,23)24;1-7-2-4-24(5-3-7)6-8(13,14)9(15,16)10(17,18)11(19,20)12(21,22)23;10-6(11,8(14,15)16)7(12,13)9(17,18)19-4-2-1-3-5-19;1-7-3-8(2)5-13(4-7)6-9(10,11)12;1-11-6-2-4-12(5-3-6)7(8,9)10;1-11(7(8,9)10)4-2-3-6(12)5-11;2*1-6-2-4-11(5-3-6)7(8,9)10;7-6(8,9)10-4-2-1-3-5-10;;;;;;;;;;;/h4-5H,6H2,1-3H3;4-5,10H,6H2,1-3H3;3-5H,6H2,1-2H3;2-5H,6H2,1H3;1-5H;3-5H,6H2,1-2H3;2-5H;2-5H2,1H3;2*2-5H,1H3;1-5H;11*1H4/q11*+1
• InChIKey: ZMSMESFKUJGQKY-UHFFFAOYSA-N
• XLogP: 43.39
• TPSA: 60.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 31
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3349.39
LogP ≤ 5	43.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,3,4,4,5,5,6,6-decafluorohexyl)-2,4,6-trimethylpyridin-1-ium;3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyridin-1-ium;3,5-dimethyl-1-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)pyridin-1-ium;4-isocyano-1-(trifluoromethyl)pyridin-1-ium;methane;1-methyl-1-(trifluoromethyl)piperidin-1-ium-3-one;bis(4-methyl-1-(trifluoromethyl)pyridin-1-ium);4-methyl-1-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)pyridin-1-ium;1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridin-1-ium;1-(trifluoromethyl)pyridin-1-ium;2,4,6-trimethyl-1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecyl)pyridin-1-ium?

The IUPAC name of 1-(2,2,3,3,4,4,5,5,6,6-decafluorohexyl)-2,4,6-trimethylpyridin-1-ium;3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyridin-1-ium;3,5-dimethyl-1-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)pyridin-1-ium;4-isocyano-1-(trifluoromethyl)pyridin-1-ium;methane;1-methyl-1-(trifluoromethyl)piperidin-1-ium-3-one;bis(4-methyl-1-(trifluoromethyl)pyridin-1-ium);4-methyl-1-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)pyridin-1-ium;1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridin-1-ium;1-(trifluoromethyl)pyridin-1-ium;2,4,6-trimethyl-1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecyl)pyridin-1-ium (CID 162162874) is 1-(2,2,3,3,4,4,5,5,6,6-decafluorohexyl)-2,4,6-trimethylpyridin-1-ium;3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyridin-1-ium;3,5-dimethyl-1-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)pyridin-1-ium;4-isocyano-1-(trifluoromethyl)pyridin-1-ium;methane;1-methyl-1-(trifluoromethyl)piperidin-1-ium-3-one;bis(4-methyl-1-(trifluoromethyl)pyridin-1-ium);4-methyl-1-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)pyridin-1-ium;1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridin-1-ium;1-(trifluoromethyl)pyridin-1-ium;2,4,6-trimethyl-1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecyl)pyridin-1-ium.

What is the SMILES notation for 1-(2,2,3,3,4,4,5,5,6,6-decafluorohexyl)-2,4,6-trimethylpyridin-1-ium;3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyridin-1-ium;3,5-dimethyl-1-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)pyridin-1-ium;4-isocyano-1-(trifluoromethyl)pyridin-1-ium;methane;1-methyl-1-(trifluoromethyl)piperidin-1-ium-3-one;bis(4-methyl-1-(trifluoromethyl)pyridin-1-ium);4-methyl-1-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)pyridin-1-ium;1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridin-1-ium;1-(trifluoromethyl)pyridin-1-ium;2,4,6-trimethyl-1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecyl)pyridin-1-ium?

The canonical SMILES for 1-(2,2,3,3,4,4,5,5,6,6-decafluorohexyl)-2,4,6-trimethylpyridin-1-ium;3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyridin-1-ium;3,5-dimethyl-1-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)pyridin-1-ium;4-isocyano-1-(trifluoromethyl)pyridin-1-ium;methane;1-methyl-1-(trifluoromethyl)piperidin-1-ium-3-one;bis(4-methyl-1-(trifluoromethyl)pyridin-1-ium);4-methyl-1-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)pyridin-1-ium;1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridin-1-ium;1-(trifluoromethyl)pyridin-1-ium;2,4,6-trimethyl-1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecyl)pyridin-1-ium is C.C.C.C.C.C.C.C.C.C.C.C[N+]1(C(F)(F)F)CCCC(=O)C1.Cc1cc(C)[n+](CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(C)c1.Cc1cc(C)[n+](CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)c(C)c1.Cc1cc(C)c[n+](CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1.Cc1cc(C)c[n+](CC(F)(F)F)c1.Cc1cc[n+](C(F)(F)F)cc1.Cc1cc[n+](C(F)(F)F)cc1.Cc1cc[n+](CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1.FC(F)(F)C(F)(F)C(F)(F)C(F)(F)[n+]1ccccc1.FC(F)(F)[n+]1ccccc1.[C-]#[N+]c1cc[n+](C(F)(F)F)cc1.

What is the InChIKey of 1-(2,2,3,3,4,4,5,5,6,6-decafluorohexyl)-2,4,6-trimethylpyridin-1-ium;3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyridin-1-ium;3,5-dimethyl-1-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)pyridin-1-ium;4-isocyano-1-(trifluoromethyl)pyridin-1-ium;methane;1-methyl-1-(trifluoromethyl)piperidin-1-ium-3-one;bis(4-methyl-1-(trifluoromethyl)pyridin-1-ium);4-methyl-1-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)pyridin-1-ium;1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridin-1-ium;1-(trifluoromethyl)pyridin-1-ium;2,4,6-trimethyl-1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecyl)pyridin-1-ium?

The InChIKey is ZMSMESFKUJGQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F23N.C14H14F10N.C13H11F11N.C12H9F11N.C9H5F9N.C9H11F3N.C7H4F3N2.C7H11F3NO.2C7H7F3N.C6H5F3N.11CH4/c1-7-4-8(2)44(9(3)5-7)6-10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)15(31,32)16(33,34)17(35,36)18(37,38)19(39,40)20(41,42)43;1-7-4-8(2)25(9(3)5-7)6-11(17,18)13(21,22)14(23,24)12(19,20)10(15)16;1-7-3-8(2)5-25(4-7)6-9(14,15)10(16,17)11(18,19)12(20,21)13(22,23)24;1-7-2-4-24(5-3-7)6-8(13,14)9(15,16)10(17,18)11(19,20)12(21,22)23;10-6(11,8(14,15)16)7(12,13)9(17,18)19-4-2-1-3-5-19;1-7-3-8(2)5-13(4-7)6-9(10,11)12;1-11-6-2-4-12(5-3-6)7(8,9)10;1-11(7(8,9)10)4-2-3-6(12)5-11;2*1-6-2-4-11(5-3-6)7(8,9)10;7-6(8,9)10-4-2-1-3-5-10;;;;;;;;;;;/h4-5H,6H2,1-3H3;4-5,10H,6H2,1-3H3;3-5H,6H2,1-2H3;2-5H,6H2,1H3;1-5H;3-5H,6H2,1-2H3;2-5H;2-5H2,1H3;2*2-5H,1H3;1-5H;11*1H4/q11*+1;;;;;;;;;;;.

What are the key properties of 1-(2,2,3,3,4,4,5,5,6,6-decafluorohexyl)-2,4,6-trimethylpyridin-1-ium;3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyridin-1-ium;3,5-dimethyl-1-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)pyridin-1-ium;4-isocyano-1-(trifluoromethyl)pyridin-1-ium;methane;1-methyl-1-(trifluoromethyl)piperidin-1-ium-3-one;bis(4-methyl-1-(trifluoromethyl)pyridin-1-ium);4-methyl-1-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)pyridin-1-ium;1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridin-1-ium;1-(trifluoromethyl)pyridin-1-ium;2,4,6-trimethyl-1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecyl)pyridin-1-ium?

1-(2,2,3,3,4,4,5,5,6,6-decafluorohexyl)-2,4,6-trimethylpyridin-1-ium;3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyridin-1-ium;3,5-dimethyl-1-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)pyridin-1-ium;4-isocyano-1-(trifluoromethyl)pyridin-1-ium;methane;1-methyl-1-(trifluoromethyl)piperidin-1-ium-3-one;bis(4-methyl-1-(trifluoromethyl)pyridin-1-ium);4-methyl-1-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)pyridin-1-ium;1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridin-1-ium;1-(trifluoromethyl)pyridin-1-ium;2,4,6-trimethyl-1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecyl)pyridin-1-ium has a molecular weight of 3349.39 g/mol, XLogP of 43.39, 31 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,2,3,3,4,4,5,5,6,6-decafluorohexyl)-2,4,6-trimethylpyridin-1-ium;3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyridin-1-ium;3,5-dimethyl-1-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)pyridin-1-ium;4-isocyano-1-(trifluoromethyl)pyridin-1-ium;methane;1-methyl-1-(trifluoromethyl)piperidin-1-ium-3-one;bis(4-methyl-1-(trifluoromethyl)pyridin-1-ium);4-methyl-1-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)pyridin-1-ium;1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridin-1-ium;1-(trifluoromethyl)pyridin-1-ium;2,4,6-trimethyl-1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecyl)pyridin-1-ium is sourced from PubChem (CID 162162874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).