1-hexyl-4-propylpyridin-1-ium fluoride

C14H24FN — CID 171571557

IUPAC1-hexyl-4-propylpyridin-1-ium fluoride
SMILESCCCCCC[n+]1ccc(CCC)cc1.[F-]
InChIInChI=1S/C14H24N.FH/c1-3-5-6-7-11-15-12-9-14(8-4-2)10-13-15;/h9-10,12-13H,3-8,11H2,1-2H3;1H/q+1;/p-1
InChIKeyQDHJPWUAWULJCI-UHFFFAOYSA-M
MW225.35 g/mol
LogP0.51
Rot. Bonds7

About 1-hexyl-4-propylpyridin-1-ium fluoride

1-hexyl-4-propylpyridin-1-ium fluoride (PubChem CID 171571557) has the molecular formula C14H24FN and a molecular weight of 225.35 g/mol. Its IUPAC name is 1-hexyl-4-propylpyridin-1-ium fluoride.

Molecular Properties

Compound Name1-hexyl-4-propylpyridin-1-ium fluoride
PubChem CID171571557
Molecular FormulaC14H24FN
Molecular Weight225.35 g/mol
Exact Mass225.19
IUPAC Name1-hexyl-4-propylpyridin-1-ium fluoride
SMILESCCCCCC[n+]1ccc(CCC)cc1.[F-]
InChIInChI=1S/C14H24N.FH/c1-3-5-6-7-11-15-12-9-14(8-4-2)10-13-15;/h9-10,12-13H,3-8,11H2,1-2H3;1H/q+1;/p-1
InChIKeyQDHJPWUAWULJCI-UHFFFAOYSA-M
XLogP0.51
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.35
LogP ≤ 50.51
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-nonyl-4-propylpyridin-1-ium fluoride
CID 171569989
1-hexadecyl-4-propylpyridin-1-ium
CID 69389334
1-octyl-4-propylpyridin-1-ium
CID 18377811
1-pentyl-4-propylpyridin-1-ium
CID 69394623
1-pentadecyl-4-tetradecylpyridin-1-ium
CID 69388055
1-nonyl-4-octylpyridin-1-ium
CID 69390561
1-octadecyl-4-octylpyridin-1-ium
CID 69390260
4-decyl-1-nonadecylpyridin-1-ium
CID 69394028
4-dodecyl-1-pentylpyridin-1-ium
CID 69391900
1-heptyl-4-pentadecylpyridin-1-ium
CID 69392456
4-decyl-1-heptylpyridin-1-ium
CID 69386084
4-hexyl-1-pentylpyridin-1-ium
CID 69396587

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-4-propylpyridin-1-ium fluoride?
The IUPAC name of 1-hexyl-4-propylpyridin-1-ium fluoride (CID 171571557) is 1-hexyl-4-propylpyridin-1-ium fluoride.
What is the SMILES notation for 1-hexyl-4-propylpyridin-1-ium fluoride?
The canonical SMILES for 1-hexyl-4-propylpyridin-1-ium fluoride is CCCCCC[n+]1ccc(CCC)cc1.[F-].
What is the InChIKey of 1-hexyl-4-propylpyridin-1-ium fluoride?
The InChIKey is QDHJPWUAWULJCI-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H24N.FH/c1-3-5-6-7-11-15-12-9-14(8-4-2)10-13-15;/h9-10,12-13H,3-8,11H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 1-hexyl-4-propylpyridin-1-ium fluoride?
1-hexyl-4-propylpyridin-1-ium fluoride has a molecular weight of 225.35 g/mol, XLogP of 0.51, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-4-propylpyridin-1-ium fluoride is sourced from PubChem (CID 171571557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).