2-(7-fluoro-3,6-dimethyldibenzofuran-4-yl)-1,5-dimethyl-4-propan-2-ylpyridin-1-ium

C24H25FNO+ — CID 153464470

IUPAC2-(7-fluoro-3,6-dimethyldibenzofuran-4-yl)-1,5-dimethyl-4-propan-2-ylpyridin-1-ium
SMILESCc1c[n+](C)c(-c2c(C)ccc3c2oc2c(C)c(F)ccc23)cc1C(C)C
InChIInChI=1S/C24H25FNO/c1-13(2)19-11-21(26(6)12-15(19)4)22-14(3)7-8-18-17-9-10-20(25)16(5)23(17)27-24(18)22/h7-13H,1-6H3/q+1
InChIKeyFAVCMAFUIIYPES-UHFFFAOYSA-N
MW362.47 g/mol
LogP6.27
Rot. Bonds2

About 2-(7-fluoro-3,6-dimethyldibenzofuran-4-yl)-1,5-dimethyl-4-propan-2-ylpyridin-1-ium

2-(7-fluoro-3,6-dimethyldibenzofuran-4-yl)-1,5-dimethyl-4-propan-2-ylpyridin-1-ium (PubChem CID 153464470) has the molecular formula C24H25FNO+ and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-(7-fluoro-3,6-dimethyldibenzofuran-4-yl)-1,5-dimethyl-4-propan-2-ylpyridin-1-ium.

Molecular Properties

Compound Name2-(7-fluoro-3,6-dimethyldibenzofuran-4-yl)-1,5-dimethyl-4-propan-2-ylpyridin-1-ium
PubChem CID153464470
Molecular FormulaC24H25FNO+
Molecular Weight362.47 g/mol
Exact Mass362.19
IUPAC Name2-(7-fluoro-3,6-dimethyldibenzofuran-4-yl)-1,5-dimethyl-4-propan-2-ylpyridin-1-ium
SMILESCc1c[n+](C)c(-c2c(C)ccc3c2oc2c(C)c(F)ccc23)cc1C(C)C
InChIInChI=1S/C24H25FNO/c1-13(2)19-11-21(26(6)12-15(19)4)22-14(3)7-8-18-17-9-10-20(25)16(5)23(17)27-24(18)22/h7-13H,1-6H3/q+1
InChIKeyFAVCMAFUIIYPES-UHFFFAOYSA-N
XLogP6.27
TPSA17.02 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 56.27
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-3,6-dimethyldibenzofuran-4-yl)-1,5-dimethyl-4-propan-2-ylpyridin-1-ium with MolForge

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Related Compounds

2-(7-fluoro-3,6-dimethyldibenzofuran-4-yl)-1-methyl-5-propan-2-ylpyridin-1-ium
CID 153464296
2-(1,7-difluoro-3-methyl-6-phenyldibenzofuran-4-yl)-1,5-dimethyl-4-propan-2-ylpyridin-1-ium
CID 153464345
1,5-dimethyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)-4-propan-2-ylpyridin-1-ium
CID 167365073
8-(1,5-dimethyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine
CID 140708199
8-(1,5-dimethyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
CID 140708097
2-[7-fluoro-3-methyl-6-(4-phenylphenyl)dibenzofuran-4-yl]-1,4-dimethyl-5-propan-2-ylpyridin-1-ium
CID 167357630
2-(1,7-difluoro-3,6-dimethyldibenzofuran-4-yl)-1,4,5-trimethylpyridin-1-ium
CID 153464606
5-fluoro-2-(6-isocyano-3-methyldibenzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium
CID 164778604
2-(7-fluoro-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium
CID 153003317
2-(1,7-difluoro-3,6-dimethyldibenzofuran-4-yl)-1-methyl-5-propan-2-ylpyridin-1-ium
CID 147787455
2-(7,9-difluoro-3,6-dimethyldibenzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium
CID 153164988
2-[7-fluoro-3-methyl-6-(4-methylphenyl)dibenzofuran-4-yl]-1-methyl-4-propan-2-ylpyridin-1-ium
CID 153464844

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-3,6-dimethyldibenzofuran-4-yl)-1,5-dimethyl-4-propan-2-ylpyridin-1-ium?
The IUPAC name of 2-(7-fluoro-3,6-dimethyldibenzofuran-4-yl)-1,5-dimethyl-4-propan-2-ylpyridin-1-ium (CID 153464470) is 2-(7-fluoro-3,6-dimethyldibenzofuran-4-yl)-1,5-dimethyl-4-propan-2-ylpyridin-1-ium.
What is the SMILES notation for 2-(7-fluoro-3,6-dimethyldibenzofuran-4-yl)-1,5-dimethyl-4-propan-2-ylpyridin-1-ium?
The canonical SMILES for 2-(7-fluoro-3,6-dimethyldibenzofuran-4-yl)-1,5-dimethyl-4-propan-2-ylpyridin-1-ium is Cc1c[n+](C)c(-c2c(C)ccc3c2oc2c(C)c(F)ccc23)cc1C(C)C.
What is the InChIKey of 2-(7-fluoro-3,6-dimethyldibenzofuran-4-yl)-1,5-dimethyl-4-propan-2-ylpyridin-1-ium?
The InChIKey is FAVCMAFUIIYPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FNO/c1-13(2)19-11-21(26(6)12-15(19)4)22-14(3)7-8-18-17-9-10-20(25)16(5)23(17)27-24(18)22/h7-13H,1-6H3/q+1.
What are the key properties of 2-(7-fluoro-3,6-dimethyldibenzofuran-4-yl)-1,5-dimethyl-4-propan-2-ylpyridin-1-ium?
2-(7-fluoro-3,6-dimethyldibenzofuran-4-yl)-1,5-dimethyl-4-propan-2-ylpyridin-1-ium has a molecular weight of 362.47 g/mol, XLogP of 6.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-3,6-dimethyldibenzofuran-4-yl)-1,5-dimethyl-4-propan-2-ylpyridin-1-ium is sourced from PubChem (CID 153464470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).