1,3-dimethylimidazol-1-ium;2-(2,2-dimethylpropyl)-3-methyl-1,3-oxazol-3-ium;1,2-dimethylpyrazol-2-ium;1,4-dimethylquinoxaline-1,4-diium;2-fluoro-1,6-dimethylpyridin-1-ium;1,1,3,3,4,4-hexamethylpyrrolidin-1-ium;1-methylpyridin-1-ium;1-methylquinolin-1-ium;3,5,6,8-tetrafluoro-1,7-dimethylquinolin-1-ium;decafluoride

C73H103F15N12O — CID 160696699

IUPAC1,3-dimethylimidazol-1-ium;2-(2,2-dimethylpropyl)-3-methyl-1,3-oxazol-3-ium;1,2-dimethylpyrazol-2-ium;1,4-dimethylquinoxaline-1,4-diium;2-fluoro-1,6-dimethylpyridin-1-ium;1,1,3,3,4,4-hexamethylpyrrolidin-1-ium;1-methylpyridin-1-ium;1-methylquinolin-1-ium;3,5,6,8-tetrafluoro-1,7-dimethylquinolin-1-ium;decafluoride
SMILESCC1(C)C[N+](C)(C)CC1(C)C.C[n+]1cc[n+](C)c2ccccc21.C[n+]1cccc2ccccc21.C[n+]1ccccc1.C[n+]1ccoc1CC(C)(C)C.Cc1c(F)c(F)c2cc(F)c[n+](C)c2c1F.Cc1cccc(F)[n+]1C.Cn1cc[n+](C)c1.Cn1ccc[n+]1C.[F-].[F-].[F-].[F-].[F-].[F-].[F-].[F-].[F-].[F-]
InChIInChI=1S/C11H8F4N.C10H12N2.C10H10N.C10H22N.C9H16NO.C7H9FN.C6H8N.2C5H9N2.10FH/c1-5-8(13)10(15)7-3-6(12)4-16(2)11(7)9(5)14;1-11-7-8-12(2)10-6-4-3-5-9(10)11;1-11-8-4-6-9-5-2-3-7-10(9)11;1-9(2)7-11(5,6)8-10(9,3)4;1-9(2,3)7-8-10(4)5-6-11-8;1-6-4-3-5-7(8)9(6)2;1-7-5-3-2-4-6-7;1-6-3-4-7(2)5-6;1-6-4-3-5-7(6)2;;;;;;;;;;/h3-4H,1-2H3;3-8H,1-2H3;2-8H,1H3;7-8H2,1-6H3;5-6H,7H2,1-4H3;3-5H,1-2H3;2-6H,1H3;2*3-5H,1-2H3;10*1H/q+1;+2;7*+1;;;;;;;;;;/p-10
InChIKeyRQBYXLLFYAAAIQ-UHFFFAOYSA-D
MW1449.68 g/mol
LogP-20.29
Rot. Bonds1

About 1,3-dimethylimidazol-1-ium;2-(2,2-dimethylpropyl)-3-methyl-1,3-oxazol-3-ium;1,2-dimethylpyrazol-2-ium;1,4-dimethylquinoxaline-1,4-diium;2-fluoro-1,6-dimethylpyridin-1-ium;1,1,3,3,4,4-hexamethylpyrrolidin-1-ium;1-methylpyridin-1-ium;1-methylquinolin-1-ium;3,5,6,8-tetrafluoro-1,7-dimethylquinolin-1-ium;decafluoride

1,3-dimethylimidazol-1-ium;2-(2,2-dimethylpropyl)-3-methyl-1,3-oxazol-3-ium;1,2-dimethylpyrazol-2-ium;1,4-dimethylquinoxaline-1,4-diium;2-fluoro-1,6-dimethylpyridin-1-ium;1,1,3,3,4,4-hexamethylpyrrolidin-1-ium;1-methylpyridin-1-ium;1-methylquinolin-1-ium;3,5,6,8-tetrafluoro-1,7-dimethylquinolin-1-ium;decafluoride (PubChem CID 160696699) has the molecular formula C73H103F15N12O and a molecular weight of 1449.68 g/mol. Its IUPAC name is 1,3-dimethylimidazol-1-ium;2-(2,2-dimethylpropyl)-3-methyl-1,3-oxazol-3-ium;1,2-dimethylpyrazol-2-ium;1,4-dimethylquinoxaline-1,4-diium;2-fluoro-1,6-dimethylpyridin-1-ium;1,1,3,3,4,4-hexamethylpyrrolidin-1-ium;1-methylpyridin-1-ium;1-methylquinolin-1-ium;3,5,6,8-tetrafluoro-1,7-dimethylquinolin-1-ium;decafluoride.

Molecular Properties

Compound Name1,3-dimethylimidazol-1-ium;2-(2,2-dimethylpropyl)-3-methyl-1,3-oxazol-3-ium;1,2-dimethylpyrazol-2-ium;1,4-dimethylquinoxaline-1,4-diium;2-fluoro-1,6-dimethylpyridin-1-ium;1,1,3,3,4,4-hexamethylpyrrolidin-1-ium;1-methylpyridin-1-ium;1-methylquinolin-1-ium;3,5,6,8-tetrafluoro-1,7-dimethylquinolin-1-ium;decafluoride
PubChem CID160696699
Molecular FormulaC73H103F15N12O
Molecular Weight1449.68 g/mol
Exact Mass1448.81
IUPAC Name1,3-dimethylimidazol-1-ium;2-(2,2-dimethylpropyl)-3-methyl-1,3-oxazol-3-ium;1,2-dimethylpyrazol-2-ium;1,4-dimethylquinoxaline-1,4-diium;2-fluoro-1,6-dimethylpyridin-1-ium;1,1,3,3,4,4-hexamethylpyrrolidin-1-ium;1-methylpyridin-1-ium;1-methylquinolin-1-ium;3,5,6,8-tetrafluoro-1,7-dimethylquinolin-1-ium;decafluoride
SMILESCC1(C)C[N+](C)(C)CC1(C)C.C[n+]1cc[n+](C)c2ccccc21.C[n+]1cccc2ccccc21.C[n+]1ccccc1.C[n+]1ccoc1CC(C)(C)C.Cc1c(F)c(F)c2cc(F)c[n+](C)c2c1F.Cc1cccc(F)[n+]1C.Cn1cc[n+](C)c1.Cn1ccc[n+]1C.[F-].[F-].[F-].[F-].[F-].[F-].[F-].[F-].[F-].[F-]
InChIInChI=1S/C11H8F4N.C10H12N2.C10H10N.C10H22N.C9H16NO.C7H9FN.C6H8N.2C5H9N2.10FH/c1-5-8(13)10(15)7-3-6(12)4-16(2)11(7)9(5)14;1-11-7-8-12(2)10-6-4-3-5-9(10)11;1-11-8-4-6-9-5-2-3-7-10(9)11;1-9(2)7-11(5,6)8-10(9,3)4;1-9(2,3)7-8-10(4)5-6-11-8;1-6-4-3-5-7(8)9(6)2;1-7-5-3-2-4-6-7;1-6-3-4-7(2)5-6;1-6-4-3-5-7(6)2;;;;;;;;;;/h3-4H,1-2H3;3-8H,1-2H3;2-8H,1H3;7-8H2,1-6H3;5-6H,7H2,1-4H3;3-5H,1-2H3;2-6H,1H3;2*3-5H,1-2H3;10*1H/q+1;+2;7*+1;;;;;;;;;;/p-10
InChIKeyRQBYXLLFYAAAIQ-UHFFFAOYSA-D
XLogP-20.29
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms101
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001449.68
LogP ≤ 5-20.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 1,3-dimethylimidazol-1-ium;2-(2,2-dimethylpropyl)-3-methyl-1,3-oxazol-3-ium;1,2-dimethylpyrazol-2-ium;1,4-dimethylquinoxaline-1,4-diium;2-fluoro-1,6-dimethylpyridin-1-ium;1,1,3,3,4,4-hexamethylpyrrolidin-1-ium;1-methylpyridin-1-ium;1-methylquinolin-1-ium;3,5,6,8-tetrafluoro-1,7-dimethylquinolin-1-ium;decafluoride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylimidazol-1-ium;2-(2,2-dimethylpropyl)-3-methyl-1,3-oxazol-3-ium;1,2-dimethylpyrazol-2-ium;1,4-dimethylquinoxaline-1,4-diium;2-fluoro-1,6-dimethylpyridin-1-ium;1,1,3,3,4,4-hexamethylpyrrolidin-1-ium;1-methylpyridin-1-ium;1-methylquinolin-1-ium;3,5,6,8-tetrafluoro-1,7-dimethylquinolin-1-ium;decafluoride?
The IUPAC name of 1,3-dimethylimidazol-1-ium;2-(2,2-dimethylpropyl)-3-methyl-1,3-oxazol-3-ium;1,2-dimethylpyrazol-2-ium;1,4-dimethylquinoxaline-1,4-diium;2-fluoro-1,6-dimethylpyridin-1-ium;1,1,3,3,4,4-hexamethylpyrrolidin-1-ium;1-methylpyridin-1-ium;1-methylquinolin-1-ium;3,5,6,8-tetrafluoro-1,7-dimethylquinolin-1-ium;decafluoride (CID 160696699) is 1,3-dimethylimidazol-1-ium;2-(2,2-dimethylpropyl)-3-methyl-1,3-oxazol-3-ium;1,2-dimethylpyrazol-2-ium;1,4-dimethylquinoxaline-1,4-diium;2-fluoro-1,6-dimethylpyridin-1-ium;1,1,3,3,4,4-hexamethylpyrrolidin-1-ium;1-methylpyridin-1-ium;1-methylquinolin-1-ium;3,5,6,8-tetrafluoro-1,7-dimethylquinolin-1-ium;decafluoride.
What is the SMILES notation for 1,3-dimethylimidazol-1-ium;2-(2,2-dimethylpropyl)-3-methyl-1,3-oxazol-3-ium;1,2-dimethylpyrazol-2-ium;1,4-dimethylquinoxaline-1,4-diium;2-fluoro-1,6-dimethylpyridin-1-ium;1,1,3,3,4,4-hexamethylpyrrolidin-1-ium;1-methylpyridin-1-ium;1-methylquinolin-1-ium;3,5,6,8-tetrafluoro-1,7-dimethylquinolin-1-ium;decafluoride?
The canonical SMILES for 1,3-dimethylimidazol-1-ium;2-(2,2-dimethylpropyl)-3-methyl-1,3-oxazol-3-ium;1,2-dimethylpyrazol-2-ium;1,4-dimethylquinoxaline-1,4-diium;2-fluoro-1,6-dimethylpyridin-1-ium;1,1,3,3,4,4-hexamethylpyrrolidin-1-ium;1-methylpyridin-1-ium;1-methylquinolin-1-ium;3,5,6,8-tetrafluoro-1,7-dimethylquinolin-1-ium;decafluoride is CC1(C)C[N+](C)(C)CC1(C)C.C[n+]1cc[n+](C)c2ccccc21.C[n+]1cccc2ccccc21.C[n+]1ccccc1.C[n+]1ccoc1CC(C)(C)C.Cc1c(F)c(F)c2cc(F)c[n+](C)c2c1F.Cc1cccc(F)[n+]1C.Cn1cc[n+](C)c1.Cn1ccc[n+]1C.[F-].[F-].[F-].[F-].[F-].[F-].[F-].[F-].[F-].[F-].
What is the InChIKey of 1,3-dimethylimidazol-1-ium;2-(2,2-dimethylpropyl)-3-methyl-1,3-oxazol-3-ium;1,2-dimethylpyrazol-2-ium;1,4-dimethylquinoxaline-1,4-diium;2-fluoro-1,6-dimethylpyridin-1-ium;1,1,3,3,4,4-hexamethylpyrrolidin-1-ium;1-methylpyridin-1-ium;1-methylquinolin-1-ium;3,5,6,8-tetrafluoro-1,7-dimethylquinolin-1-ium;decafluoride?
The InChIKey is RQBYXLLFYAAAIQ-UHFFFAOYSA-D. The full InChI is InChI=1S/C11H8F4N.C10H12N2.C10H10N.C10H22N.C9H16NO.C7H9FN.C6H8N.2C5H9N2.10FH/c1-5-8(13)10(15)7-3-6(12)4-16(2)11(7)9(5)14;1-11-7-8-12(2)10-6-4-3-5-9(10)11;1-11-8-4-6-9-5-2-3-7-10(9)11;1-9(2)7-11(5,6)8-10(9,3)4;1-9(2,3)7-8-10(4)5-6-11-8;1-6-4-3-5-7(8)9(6)2;1-7-5-3-2-4-6-7;1-6-3-4-7(2)5-6;1-6-4-3-5-7(6)2;;;;;;;;;;/h3-4H,1-2H3;3-8H,1-2H3;2-8H,1H3;7-8H2,1-6H3;5-6H,7H2,1-4H3;3-5H,1-2H3;2-6H,1H3;2*3-5H,1-2H3;10*1H/q+1;+2;7*+1;;;;;;;;;;/p-10.
What are the key properties of 1,3-dimethylimidazol-1-ium;2-(2,2-dimethylpropyl)-3-methyl-1,3-oxazol-3-ium;1,2-dimethylpyrazol-2-ium;1,4-dimethylquinoxaline-1,4-diium;2-fluoro-1,6-dimethylpyridin-1-ium;1,1,3,3,4,4-hexamethylpyrrolidin-1-ium;1-methylpyridin-1-ium;1-methylquinolin-1-ium;3,5,6,8-tetrafluoro-1,7-dimethylquinolin-1-ium;decafluoride?
1,3-dimethylimidazol-1-ium;2-(2,2-dimethylpropyl)-3-methyl-1,3-oxazol-3-ium;1,2-dimethylpyrazol-2-ium;1,4-dimethylquinoxaline-1,4-diium;2-fluoro-1,6-dimethylpyridin-1-ium;1,1,3,3,4,4-hexamethylpyrrolidin-1-ium;1-methylpyridin-1-ium;1-methylquinolin-1-ium;3,5,6,8-tetrafluoro-1,7-dimethylquinolin-1-ium;decafluoride has a molecular weight of 1449.68 g/mol, XLogP of -20.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylimidazol-1-ium;2-(2,2-dimethylpropyl)-3-methyl-1,3-oxazol-3-ium;1,2-dimethylpyrazol-2-ium;1,4-dimethylquinoxaline-1,4-diium;2-fluoro-1,6-dimethylpyridin-1-ium;1,1,3,3,4,4-hexamethylpyrrolidin-1-ium;1-methylpyridin-1-ium;1-methylquinolin-1-ium;3,5,6,8-tetrafluoro-1,7-dimethylquinolin-1-ium;decafluoride is sourced from PubChem (CID 160696699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).