1-butyl-1H-imidazol-1-ium fluoride

C7H13FN2 — CID 69338392

IUPAC1-butyl-1H-imidazol-1-ium fluoride
SMILESCCCC[NH+]1C=CN=C1.[F-]
InChIInChI=1S/C7H12N2.FH/c1-2-3-5-9-6-4-8-7-9;/h4,6-7H,2-3,5H2,1H3;1H
InChIKeyNUOVYIGJOVEOSE-UHFFFAOYSA-N
MW144.19 g/mol
LogP-2.81
Rot. Bonds3

About 1-butyl-1H-imidazol-1-ium fluoride

1-butyl-1H-imidazol-1-ium fluoride (PubChem CID 69338392) has the molecular formula C7H13FN2 and a molecular weight of 144.19 g/mol. Its IUPAC name is 1-butyl-1H-imidazol-1-ium fluoride.

Molecular Properties

Compound Name1-butyl-1H-imidazol-1-ium fluoride
PubChem CID69338392
Molecular FormulaC7H13FN2
Molecular Weight144.19 g/mol
Exact Mass144.11
IUPAC Name1-butyl-1H-imidazol-1-ium fluoride
SMILESCCCC[NH+]1C=CN=C1.[F-]
InChIInChI=1S/C7H12N2.FH/c1-2-3-5-9-6-4-8-7-9;/h4,6-7H,2-3,5H2,1H3;1H
InChIKeyNUOVYIGJOVEOSE-UHFFFAOYSA-N
XLogP-2.81
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 5-2.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Ethylimidazolium bromide
CID 66724526
1-Ethylimidazolium chloride
CID 19979778
1-Butyl-1H-imidazol-1-ium tetrafluoridoborate(1-)
CID 57350046
1-pentyl-1H-imidazol-1-ium hexafluorophosphate
CID 18629775
Methyl 1h imidazolium fluoride
CID 69338659
1-butyl-1H-imidazol-1-ium chloride
CID 66672281
1-butyl-1H-imidazol-1-ium bromide
CID 66978243
1-tert-butyl-1H-imidazol-1-ium
CID 17835947
1-ethyl-1H-imidazol-1-ium;chloride;hydrochloride
CID 18945014
1-propyl-1H-imidazol-1-ium chloride
CID 19765953
1-butyl-1H-imidazol-1-ium iodide
CID 21977611
1-pentyl-1H-imidazol-1-ium iodide
CID 21977612

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1H-imidazol-1-ium fluoride?
The IUPAC name of 1-butyl-1H-imidazol-1-ium fluoride (CID 69338392) is 1-butyl-1H-imidazol-1-ium fluoride.
What is the SMILES notation for 1-butyl-1H-imidazol-1-ium fluoride?
The canonical SMILES for 1-butyl-1H-imidazol-1-ium fluoride is CCCC[NH+]1C=CN=C1.[F-].
What is the InChIKey of 1-butyl-1H-imidazol-1-ium fluoride?
The InChIKey is NUOVYIGJOVEOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.FH/c1-2-3-5-9-6-4-8-7-9;/h4,6-7H,2-3,5H2,1H3;1H.
What are the key properties of 1-butyl-1H-imidazol-1-ium fluoride?
1-butyl-1H-imidazol-1-ium fluoride has a molecular weight of 144.19 g/mol, XLogP of -2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1H-imidazol-1-ium fluoride is sourced from PubChem (CID 69338392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).