3-ethyl-1-octylpyridin-1-ium fluoride

C15H26FN — CID 171570850

IUPAC3-ethyl-1-octylpyridin-1-ium fluoride
SMILESCCCCCCCC[n+]1cccc(CC)c1.[F-]
InChIInChI=1S/C15H26N.FH/c1-3-5-6-7-8-9-12-16-13-10-11-15(4-2)14-16;/h10-11,13-14H,3-9,12H2,1-2H3;1H/q+1;/p-1
InChIKeyKTJAXLMZQPSUDR-UHFFFAOYSA-M
MW239.38 g/mol
LogP0.90
Rot. Bonds8

About 3-ethyl-1-octylpyridin-1-ium fluoride

3-ethyl-1-octylpyridin-1-ium fluoride (PubChem CID 171570850) has the molecular formula C15H26FN and a molecular weight of 239.38 g/mol. Its IUPAC name is 3-ethyl-1-octylpyridin-1-ium fluoride.

Molecular Properties

Compound Name3-ethyl-1-octylpyridin-1-ium fluoride
PubChem CID171570850
Molecular FormulaC15H26FN
Molecular Weight239.38 g/mol
Exact Mass239.20
IUPAC Name3-ethyl-1-octylpyridin-1-ium fluoride
SMILESCCCCCCCC[n+]1cccc(CC)c1.[F-]
InChIInChI=1S/C15H26N.FH/c1-3-5-6-7-8-9-12-16-13-10-11-15(4-2)14-16;/h10-11,13-14H,3-9,12H2,1-2H3;1H/q+1;/p-1
InChIKeyKTJAXLMZQPSUDR-UHFFFAOYSA-M
XLogP0.90
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-ethylpyridin-1-ium
CID 66672600
1-decyl-3-ethylpyridin-1-ium;methanesulfonic acid
CID 175583411
1-hexyl-3-nonadecylpyridin-1-ium
CID 69397538
3-butyl-1-heptadecylpyridin-1-ium
CID 69395997
3-decyl-1-nonylpyridin-1-ium
CID 69391901
1-decyl-3-tetradecylpyridin-1-ium
CID 69387489
3-hexadecyl-1-octadecylpyridin-1-ium
CID 69395043
3-butyl-1-hexadecylpyridin-1-ium
CID 69391952
3-butyl-1-pentylpyridin-1-ium fluoride
CID 171571112
3-nonadecyl-1-tridecylpyridin-1-ium
CID 69393724
1-hexyl-3-tridecylpyridin-1-ium
CID 69392131
3-butyl-1-heptylpyridin-1-ium
CID 69397498

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-octylpyridin-1-ium fluoride?
The IUPAC name of 3-ethyl-1-octylpyridin-1-ium fluoride (CID 171570850) is 3-ethyl-1-octylpyridin-1-ium fluoride.
What is the SMILES notation for 3-ethyl-1-octylpyridin-1-ium fluoride?
The canonical SMILES for 3-ethyl-1-octylpyridin-1-ium fluoride is CCCCCCCC[n+]1cccc(CC)c1.[F-].
What is the InChIKey of 3-ethyl-1-octylpyridin-1-ium fluoride?
The InChIKey is KTJAXLMZQPSUDR-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H26N.FH/c1-3-5-6-7-8-9-12-16-13-10-11-15(4-2)14-16;/h10-11,13-14H,3-9,12H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 3-ethyl-1-octylpyridin-1-ium fluoride?
3-ethyl-1-octylpyridin-1-ium fluoride has a molecular weight of 239.38 g/mol, XLogP of 0.90, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-octylpyridin-1-ium fluoride is sourced from PubChem (CID 171570850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).