2-ethyl-1-hexylpyridin-1-ium fluoride

C13H22FN — CID 171571226

IUPAC2-ethyl-1-hexylpyridin-1-ium fluoride
SMILESCCCCCC[n+]1ccccc1CC.[F-]
InChIInChI=1S/C13H22N.FH/c1-3-5-6-8-11-14-12-9-7-10-13(14)4-2;/h7,9-10,12H,3-6,8,11H2,1-2H3;1H/q+1;/p-1
InChIKeyHTHKJRKMSGMJCH-UHFFFAOYSA-M
MW211.32 g/mol
LogP0.12
Rot. Bonds6

About 2-ethyl-1-hexylpyridin-1-ium fluoride

2-ethyl-1-hexylpyridin-1-ium fluoride (PubChem CID 171571226) has the molecular formula C13H22FN and a molecular weight of 211.32 g/mol. Its IUPAC name is 2-ethyl-1-hexylpyridin-1-ium fluoride.

Molecular Properties

Compound Name2-ethyl-1-hexylpyridin-1-ium fluoride
PubChem CID171571226
Molecular FormulaC13H22FN
Molecular Weight211.32 g/mol
Exact Mass211.17
IUPAC Name2-ethyl-1-hexylpyridin-1-ium fluoride
SMILESCCCCCC[n+]1ccccc1CC.[F-]
InChIInChI=1S/C13H22N.FH/c1-3-5-6-8-11-14-12-9-7-10-13(14)4-2;/h7,9-10,12H,3-6,8,11H2,1-2H3;1H/q+1;/p-1
InChIKeyHTHKJRKMSGMJCH-UHFFFAOYSA-M
XLogP0.12
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.32
LogP ≤ 50.12
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-dodecyl-2-ethylpyridin-1-ium
CID 57483554
1-decyl-2-ethylpyridin-1-ium cyanide
CID 171570055
1-heptyl-2-propylpyridin-1-ium fluoride
CID 171570135
2-ethyl-1-hexylpyridin-1-ium acetate
CID 171570105
2-ethyl-1-undecylpyridin-1-ium;methanesulfonate
CID 171570336
2-ethyl-1-heptylpyridin-1-ium;methanesulfonate
CID 171569882
2-octyl-1-[8-(2-octylpyridin-1-ium-1-yl)octyl]pyridin-1-ium
CID 102323866
2-hexadecyl-1-[10-(2-hexadecylpyridin-1-ium-1-yl)decyl]pyridin-1-ium
CID 101475531
1-butyl-2-ethylpyridin-1-ium cyanide
CID 171571156
2-butyl-1-dodecylpyridin-1-ium
CID 171570143
2-pentyl-1-[12-(2-pentylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium
CID 24865578
2-decyl-1-[6-(2-decylpyridin-1-ium-1-yl)hexyl]pyridin-1-ium dibromide
CID 175685303

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-hexylpyridin-1-ium fluoride?
The IUPAC name of 2-ethyl-1-hexylpyridin-1-ium fluoride (CID 171571226) is 2-ethyl-1-hexylpyridin-1-ium fluoride.
What is the SMILES notation for 2-ethyl-1-hexylpyridin-1-ium fluoride?
The canonical SMILES for 2-ethyl-1-hexylpyridin-1-ium fluoride is CCCCCC[n+]1ccccc1CC.[F-].
What is the InChIKey of 2-ethyl-1-hexylpyridin-1-ium fluoride?
The InChIKey is HTHKJRKMSGMJCH-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H22N.FH/c1-3-5-6-8-11-14-12-9-7-10-13(14)4-2;/h7,9-10,12H,3-6,8,11H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 2-ethyl-1-hexylpyridin-1-ium fluoride?
2-ethyl-1-hexylpyridin-1-ium fluoride has a molecular weight of 211.32 g/mol, XLogP of 0.12, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-hexylpyridin-1-ium fluoride is sourced from PubChem (CID 171571226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).