2-(7-fluoro-3,8-dimethyldibenzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium

C23H23FNO+ — CID 153464832

IUPAC2-(7-fluoro-3,8-dimethyldibenzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium
SMILESCc1cc2c(cc1F)oc1c(-c3cc(C(C)C)cc[n+]3C)c(C)ccc12
InChIInChI=1S/C23H23FNO/c1-13(2)16-8-9-25(5)20(11-16)22-14(3)6-7-17-18-10-15(4)19(24)12-21(18)26-23(17)22/h6-13H,1-5H3/q+1
InChIKeySLZFULDNVRGWJB-UHFFFAOYSA-N
MW348.44 g/mol
LogP5.96
Rot. Bonds2

About 2-(7-fluoro-3,8-dimethyldibenzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium

2-(7-fluoro-3,8-dimethyldibenzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium (PubChem CID 153464832) has the molecular formula C23H23FNO+ and a molecular weight of 348.44 g/mol. Its IUPAC name is 2-(7-fluoro-3,8-dimethyldibenzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium.

Molecular Properties

Compound Name2-(7-fluoro-3,8-dimethyldibenzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium
PubChem CID153464832
Molecular FormulaC23H23FNO+
Molecular Weight348.44 g/mol
Exact Mass348.18
IUPAC Name2-(7-fluoro-3,8-dimethyldibenzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium
SMILESCc1cc2c(cc1F)oc1c(-c3cc(C(C)C)cc[n+]3C)c(C)ccc12
InChIInChI=1S/C23H23FNO/c1-13(2)16-8-9-25(5)20(11-16)22-14(3)6-7-17-18-10-15(4)19(24)12-21(18)26-23(17)22/h6-13H,1-5H3/q+1
InChIKeySLZFULDNVRGWJB-UHFFFAOYSA-N
XLogP5.96
TPSA17.02 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.44
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(7-fluoro-3,8-dimethyldibenzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium with MolForge

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Related Compounds

2-[7-fluoro-3-methyl-6-(4-methylphenyl)dibenzofuran-4-yl]-1-methyl-4-propan-2-ylpyridin-1-ium
CID 153464844
2-(7,9-difluoro-3,6-dimethyldibenzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium
CID 153164988
1-methyl-4-propan-2-yl-2-(3,11,11-trimethylfluoreno[3,2-b][1]benzofuran-4-yl)pyridin-1-ium
CID 155648800
2-(7-fluoro-1,3-dimethyldibenzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium
CID 152995746
2-(7-fluoro-3-methyldibenzofuran-4-yl)-1-methyl-4-(2-methylpropyl)pyridin-1-ium
CID 164797279
7-[3-fluoro-7-methyl-6-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)dibenzofuran-4-yl]quinoline
CID 164849301
2,4,7-trimethyl-8-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 140708262
2-(1,7-difluoro-3,8-dimethyldibenzofuran-4-yl)-1-methyl-5-propan-2-ylpyridin-1-ium
CID 153464375
4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium
CID 166512644
2-cyclohexyl-7-methyl-8-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 123206430
2-(1,7-difluoro-3-methyldibenzofuran-4-yl)-1,4-dimethylpyridin-1-ium;2-(7,9-difluoro-3-methyldibenzofuran-4-yl)-1,4-dimethylpyridin-1-ium;2-(7-fluoro-3,6-dimethyldibenzofuran-4-yl)-1,4-dimethylpyridin-1-ium;2-(7-fluoro-3,8-dimethyldibenzofuran-4-yl)-1,4-dimethylpyridin-1-ium;2-(7-fluoro-3-methyldibenzofuran-4-yl)-1,4-dimethylpyridin-1-ium
CID 159104702
4-(2-deuteriopropan-2-yl)-2-[3,11-dimethyl-11-(trideuteriomethyl)fluoreno[3,2-b][1]benzofuran-4-yl]-1-methylpyridin-1-ium
CID 159837594

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-3,8-dimethyldibenzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium?
The IUPAC name of 2-(7-fluoro-3,8-dimethyldibenzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium (CID 153464832) is 2-(7-fluoro-3,8-dimethyldibenzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium.
What is the SMILES notation for 2-(7-fluoro-3,8-dimethyldibenzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium?
The canonical SMILES for 2-(7-fluoro-3,8-dimethyldibenzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium is Cc1cc2c(cc1F)oc1c(-c3cc(C(C)C)cc[n+]3C)c(C)ccc12.
What is the InChIKey of 2-(7-fluoro-3,8-dimethyldibenzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium?
The InChIKey is SLZFULDNVRGWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FNO/c1-13(2)16-8-9-25(5)20(11-16)22-14(3)6-7-17-18-10-15(4)19(24)12-21(18)26-23(17)22/h6-13H,1-5H3/q+1.
What are the key properties of 2-(7-fluoro-3,8-dimethyldibenzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium?
2-(7-fluoro-3,8-dimethyldibenzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium has a molecular weight of 348.44 g/mol, XLogP of 5.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-3,8-dimethyldibenzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium is sourced from PubChem (CID 153464832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).