3-butyl-1-ethylpyridin-1-ium fluoride

C11H18FN — CID 171571607

IUPAC3-butyl-1-ethylpyridin-1-ium fluoride
SMILESCCCCc1ccc[n+](CC)c1.[F-]
InChIInChI=1S/C11H18N.FH/c1-3-5-7-11-8-6-9-12(4-2)10-11;/h6,8-10H,3-5,7H2,1-2H3;1H/q+1;/p-1
InChIKeyFYLJOSWLDQIJHE-UHFFFAOYSA-M
MW183.27 g/mol
LogP-0.66
Rot. Bonds4

About 3-butyl-1-ethylpyridin-1-ium fluoride

3-butyl-1-ethylpyridin-1-ium fluoride (PubChem CID 171571607) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is 3-butyl-1-ethylpyridin-1-ium fluoride.

Molecular Properties

Compound Name3-butyl-1-ethylpyridin-1-ium fluoride
PubChem CID171571607
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name3-butyl-1-ethylpyridin-1-ium fluoride
SMILESCCCCc1ccc[n+](CC)c1.[F-]
InChIInChI=1S/C11H18N.FH/c1-3-5-7-11-8-6-9-12(4-2)10-11;/h6,8-10H,3-5,7H2,1-2H3;1H/q+1;/p-1
InChIKeyFYLJOSWLDQIJHE-UHFFFAOYSA-M
XLogP-0.66
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 5-0.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-butyl-1-ethylpyridin-1-ium cyanide
CID 171570730
1-ethyl-3-hexylpyridin-1-ium
CID 69392569
3-butyl-1-pentylpyridin-1-ium fluoride
CID 171571112
3-butyl-1-hexadecylpyridin-1-ium
CID 69391952
3-butyl-1-heptadecylpyridin-1-ium
CID 69395997
3-butyl-1-heptylpyridin-1-ium
CID 69397498
3-butyl-1-octadecylpyridin-1-ium
CID 69394890
1-butyl-3-pentylpyridin-1-ium
CID 11845919
3-butyl-1-prop-2-enylpyridin-1-ium
CID 138756866
1-hexyl-3-nonadecylpyridin-1-ium
CID 69397538
3-hexadecyl-1-octadecylpyridin-1-ium
CID 69395043
3-decyl-1-nonylpyridin-1-ium
CID 69391901

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-ethylpyridin-1-ium fluoride?
The IUPAC name of 3-butyl-1-ethylpyridin-1-ium fluoride (CID 171571607) is 3-butyl-1-ethylpyridin-1-ium fluoride.
What is the SMILES notation for 3-butyl-1-ethylpyridin-1-ium fluoride?
The canonical SMILES for 3-butyl-1-ethylpyridin-1-ium fluoride is CCCCc1ccc[n+](CC)c1.[F-].
What is the InChIKey of 3-butyl-1-ethylpyridin-1-ium fluoride?
The InChIKey is FYLJOSWLDQIJHE-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H18N.FH/c1-3-5-7-11-8-6-9-12(4-2)10-11;/h6,8-10H,3-5,7H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 3-butyl-1-ethylpyridin-1-ium fluoride?
3-butyl-1-ethylpyridin-1-ium fluoride has a molecular weight of 183.27 g/mol, XLogP of -0.66, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-ethylpyridin-1-ium fluoride is sourced from PubChem (CID 171571607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).