2-(9,9-difluoro-3-methylfluoren-2-yl)-1,5-dimethylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-2-yl)-5-fluoro-1-methylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-2-yl)-1-methylpyridin-1-ium;1-methyl-2-[3-methyl-8,9,9-tris(trideuteriomethyl)fluoren-2-yl]-5-(trideuteriomethyl)pyridin-1-ium

C85H75F7N4+4 — CID 157228874

IUPAC2-(9,9-difluoro-3-methylfluoren-2-yl)-1,5-dimethylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-2-yl)-5-fluoro-1-methylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-2-yl)-1-methylpyridin-1-ium;1-methyl-2-[3-methyl-8,9,9-tris(trideuteriomethyl)fluoren-2-yl]-5-(trideuteriomethyl)pyridin-1-ium
SMILESCc1cc2c(cc1-c1ccc(F)c[n+]1C)C(F)(F)c1ccccc1-2.Cc1cc2c(cc1-c1cccc[n+]1C)C(F)(F)c1ccccc1-2.Cc1ccc(-c2cc3c(cc2C)-c2ccccc2C3(F)F)[n+](C)c1.[2H]C([2H])([2H])c1ccc(-c2cc3c(cc2C)-c2cccc(C([2H])([2H])[2H])c2C3(C([2H])([2H])[2H])C([2H])([2H])[2H])[n+](C)c1
InChIInChI=1S/C24H26N.C21H18F2N.C20H15F3N.C20H16F2N/c1-15-10-11-22(25(6)14-15)19-13-21-20(12-17(19)3)18-9-7-8-16(2)23(18)24(21,4)5;1-13-8-9-20(24(3)12-13)16-11-19-17(10-14(16)2)15-6-4-5-7-18(15)21(19,22)23;1-12-9-16-14-5-3-4-6-17(14)20(22,23)18(16)10-15(12)19-8-7-13(21)11-24(19)2;1-13-11-16-14-7-3-4-8-17(14)20(21,22)18(16)12-15(13)19-9-5-6-10-23(19)2/h7-14H,1-6H3;4-12H,1-3H3;3-11H,1-2H3;3-12H,1-2H3/q4*+1/i1D3,2D3,4D3,5D3;;;
InChIKeyIUCKXMDJFWPARG-XJZMGVIQSA-N
MW1297.62 g/mol
LogP19.68
Rot. Bonds8

About 2-(9,9-difluoro-3-methylfluoren-2-yl)-1,5-dimethylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-2-yl)-5-fluoro-1-methylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-2-yl)-1-methylpyridin-1-ium;1-methyl-2-[3-methyl-8,9,9-tris(trideuteriomethyl)fluoren-2-yl]-5-(trideuteriomethyl)pyridin-1-ium

2-(9,9-difluoro-3-methylfluoren-2-yl)-1,5-dimethylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-2-yl)-5-fluoro-1-methylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-2-yl)-1-methylpyridin-1-ium;1-methyl-2-[3-methyl-8,9,9-tris(trideuteriomethyl)fluoren-2-yl]-5-(trideuteriomethyl)pyridin-1-ium (PubChem CID 157228874) has the molecular formula C85H75F7N4+4 and a molecular weight of 1297.62 g/mol. Its IUPAC name is 2-(9,9-difluoro-3-methylfluoren-2-yl)-1,5-dimethylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-2-yl)-5-fluoro-1-methylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-2-yl)-1-methylpyridin-1-ium;1-methyl-2-[3-methyl-8,9,9-tris(trideuteriomethyl)fluoren-2-yl]-5-(trideuteriomethyl)pyridin-1-ium.

Molecular Properties

Compound Name2-(9,9-difluoro-3-methylfluoren-2-yl)-1,5-dimethylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-2-yl)-5-fluoro-1-methylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-2-yl)-1-methylpyridin-1-ium;1-methyl-2-[3-methyl-8,9,9-tris(trideuteriomethyl)fluoren-2-yl]-5-(trideuteriomethyl)pyridin-1-ium
PubChem CID157228874
Molecular FormulaC85H75F7N4+4
Molecular Weight1297.62 g/mol
Exact Mass1296.66
IUPAC Name2-(9,9-difluoro-3-methylfluoren-2-yl)-1,5-dimethylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-2-yl)-5-fluoro-1-methylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-2-yl)-1-methylpyridin-1-ium;1-methyl-2-[3-methyl-8,9,9-tris(trideuteriomethyl)fluoren-2-yl]-5-(trideuteriomethyl)pyridin-1-ium
SMILESCc1cc2c(cc1-c1ccc(F)c[n+]1C)C(F)(F)c1ccccc1-2.Cc1cc2c(cc1-c1cccc[n+]1C)C(F)(F)c1ccccc1-2.Cc1ccc(-c2cc3c(cc2C)-c2ccccc2C3(F)F)[n+](C)c1.[2H]C([2H])([2H])c1ccc(-c2cc3c(cc2C)-c2cccc(C([2H])([2H])[2H])c2C3(C([2H])([2H])[2H])C([2H])([2H])[2H])[n+](C)c1
InChIInChI=1S/C24H26N.C21H18F2N.C20H15F3N.C20H16F2N/c1-15-10-11-22(25(6)14-15)19-13-21-20(12-17(19)3)18-9-7-8-16(2)23(18)24(21,4)5;1-13-8-9-20(24(3)12-13)16-11-19-17(10-14(16)2)15-6-4-5-7-18(15)21(19,22)23;1-12-9-16-14-5-3-4-6-17(14)20(22,23)18(16)10-15(12)19-8-7-13(21)11-24(19)2;1-13-11-16-14-7-3-4-8-17(14)20(21,22)18(16)12-15(13)19-9-5-6-10-23(19)2/h7-14H,1-6H3;4-12H,1-3H3;3-11H,1-2H3;3-12H,1-2H3/q4*+1/i1D3,2D3,4D3,5D3;;;
InChIKeyIUCKXMDJFWPARG-XJZMGVIQSA-N
XLogP19.68
TPSA15.52 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001297.62
LogP ≤ 519.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-(9,9-difluoro-3-methylfluoren-2-yl)-1,5-dimethylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-2-yl)-5-fluoro-1-methylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-2-yl)-1-methylpyridin-1-ium;1-methyl-2-[3-methyl-8,9,9-tris(trideuteriomethyl)fluoren-2-yl]-5-(trideuteriomethyl)pyridin-1-ium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(9,9-difluoro-3-methylfluoren-2-yl)-1,5-dimethylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-2-yl)-5-fluoro-1-methylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-2-yl)-1-methylpyridin-1-ium;1-methyl-2-[3-methyl-8,9,9-tris(trideuteriomethyl)fluoren-2-yl]-5-(trideuteriomethyl)pyridin-1-ium?
The IUPAC name of 2-(9,9-difluoro-3-methylfluoren-2-yl)-1,5-dimethylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-2-yl)-5-fluoro-1-methylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-2-yl)-1-methylpyridin-1-ium;1-methyl-2-[3-methyl-8,9,9-tris(trideuteriomethyl)fluoren-2-yl]-5-(trideuteriomethyl)pyridin-1-ium (CID 157228874) is 2-(9,9-difluoro-3-methylfluoren-2-yl)-1,5-dimethylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-2-yl)-5-fluoro-1-methylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-2-yl)-1-methylpyridin-1-ium;1-methyl-2-[3-methyl-8,9,9-tris(trideuteriomethyl)fluoren-2-yl]-5-(trideuteriomethyl)pyridin-1-ium.
What is the SMILES notation for 2-(9,9-difluoro-3-methylfluoren-2-yl)-1,5-dimethylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-2-yl)-5-fluoro-1-methylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-2-yl)-1-methylpyridin-1-ium;1-methyl-2-[3-methyl-8,9,9-tris(trideuteriomethyl)fluoren-2-yl]-5-(trideuteriomethyl)pyridin-1-ium?
The canonical SMILES for 2-(9,9-difluoro-3-methylfluoren-2-yl)-1,5-dimethylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-2-yl)-5-fluoro-1-methylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-2-yl)-1-methylpyridin-1-ium;1-methyl-2-[3-methyl-8,9,9-tris(trideuteriomethyl)fluoren-2-yl]-5-(trideuteriomethyl)pyridin-1-ium is Cc1cc2c(cc1-c1ccc(F)c[n+]1C)C(F)(F)c1ccccc1-2.Cc1cc2c(cc1-c1cccc[n+]1C)C(F)(F)c1ccccc1-2.Cc1ccc(-c2cc3c(cc2C)-c2ccccc2C3(F)F)[n+](C)c1.[2H]C([2H])([2H])c1ccc(-c2cc3c(cc2C)-c2cccc(C([2H])([2H])[2H])c2C3(C([2H])([2H])[2H])C([2H])([2H])[2H])[n+](C)c1.
What is the InChIKey of 2-(9,9-difluoro-3-methylfluoren-2-yl)-1,5-dimethylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-2-yl)-5-fluoro-1-methylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-2-yl)-1-methylpyridin-1-ium;1-methyl-2-[3-methyl-8,9,9-tris(trideuteriomethyl)fluoren-2-yl]-5-(trideuteriomethyl)pyridin-1-ium?
The InChIKey is IUCKXMDJFWPARG-XJZMGVIQSA-N. The full InChI is InChI=1S/C24H26N.C21H18F2N.C20H15F3N.C20H16F2N/c1-15-10-11-22(25(6)14-15)19-13-21-20(12-17(19)3)18-9-7-8-16(2)23(18)24(21,4)5;1-13-8-9-20(24(3)12-13)16-11-19-17(10-14(16)2)15-6-4-5-7-18(15)21(19,22)23;1-12-9-16-14-5-3-4-6-17(14)20(22,23)18(16)10-15(12)19-8-7-13(21)11-24(19)2;1-13-11-16-14-7-3-4-8-17(14)20(21,22)18(16)12-15(13)19-9-5-6-10-23(19)2/h7-14H,1-6H3;4-12H,1-3H3;3-11H,1-2H3;3-12H,1-2H3/q4*+1/i1D3,2D3,4D3,5D3;;;.
What are the key properties of 2-(9,9-difluoro-3-methylfluoren-2-yl)-1,5-dimethylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-2-yl)-5-fluoro-1-methylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-2-yl)-1-methylpyridin-1-ium;1-methyl-2-[3-methyl-8,9,9-tris(trideuteriomethyl)fluoren-2-yl]-5-(trideuteriomethyl)pyridin-1-ium?
2-(9,9-difluoro-3-methylfluoren-2-yl)-1,5-dimethylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-2-yl)-5-fluoro-1-methylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-2-yl)-1-methylpyridin-1-ium;1-methyl-2-[3-methyl-8,9,9-tris(trideuteriomethyl)fluoren-2-yl]-5-(trideuteriomethyl)pyridin-1-ium has a molecular weight of 1297.62 g/mol, XLogP of 19.68, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-difluoro-3-methylfluoren-2-yl)-1,5-dimethylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-2-yl)-5-fluoro-1-methylpyridin-1-ium;2-(9,9-difluoro-3-methylfluoren-2-yl)-1-methylpyridin-1-ium;1-methyl-2-[3-methyl-8,9,9-tris(trideuteriomethyl)fluoren-2-yl]-5-(trideuteriomethyl)pyridin-1-ium is sourced from PubChem (CID 157228874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).