1-ethyl-1H-imidazol-1-ium fluoride

C5H9FN2 — CID 69338395

IUPAC1-ethyl-1H-imidazol-1-ium fluoride
SMILESCC[NH+]1C=CN=C1.[F-]
InChIInChI=1S/C5H8N2.FH/c1-2-7-4-3-6-5-7;/h3-5H,2H2,1H3;1H
InChIKeyUOGZOXMHVOHMML-UHFFFAOYSA-N
MW116.14 g/mol
LogP-3.59
Rot. Bonds1

About 1-ethyl-1H-imidazol-1-ium fluoride

1-ethyl-1H-imidazol-1-ium fluoride (PubChem CID 69338395) has the molecular formula C5H9FN2 and a molecular weight of 116.14 g/mol. Its IUPAC name is 1-ethyl-1H-imidazol-1-ium fluoride.

Molecular Properties

Compound Name1-ethyl-1H-imidazol-1-ium fluoride
PubChem CID69338395
Molecular FormulaC5H9FN2
Molecular Weight116.14 g/mol
Exact Mass116.07
IUPAC Name1-ethyl-1H-imidazol-1-ium fluoride
SMILESCC[NH+]1C=CN=C1.[F-]
InChIInChI=1S/C5H8N2.FH/c1-2-7-4-3-6-5-7;/h3-5H,2H2,1H3;1H
InChIKeyUOGZOXMHVOHMML-UHFFFAOYSA-N
XLogP-3.59
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.14
LogP ≤ 5-3.59
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-methyl-1H-imidazol-1-ium
CID 59438645
Methyl 1h imidazolium fluoride
CID 69338659
N-ethenyl-N'-(1-fluoroethyl)methanimidamide
CID 173758901
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
3-ethenyl-4,5-dihydro-1H-imidazol-3-ium
CID 18541991
1-methyl-1H-imidazol-1-ium iodide
CID 18699301
1-ethyl-1H-imidazol-1-ium;chloride;hydrochloride
CID 18945014
1-propyl-1H-imidazol-1-ium chloride
CID 19765953

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1H-imidazol-1-ium fluoride?
The IUPAC name of 1-ethyl-1H-imidazol-1-ium fluoride (CID 69338395) is 1-ethyl-1H-imidazol-1-ium fluoride.
What is the SMILES notation for 1-ethyl-1H-imidazol-1-ium fluoride?
The canonical SMILES for 1-ethyl-1H-imidazol-1-ium fluoride is CC[NH+]1C=CN=C1.[F-].
What is the InChIKey of 1-ethyl-1H-imidazol-1-ium fluoride?
The InChIKey is UOGZOXMHVOHMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.FH/c1-2-7-4-3-6-5-7;/h3-5H,2H2,1H3;1H.
What are the key properties of 1-ethyl-1H-imidazol-1-ium fluoride?
1-ethyl-1H-imidazol-1-ium fluoride has a molecular weight of 116.14 g/mol, XLogP of -3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1H-imidazol-1-ium fluoride is sourced from PubChem (CID 69338395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).