1-(5-fluoro-1H-imidazol-4-yl)ethanone

C5H5FN2O — CID 89181276

IUPAC1-(5-fluoro-1H-imidazol-4-yl)ethanone
SMILESCC(=O)c1nc[nH]c1F
InChIInChI=1S/C5H5FN2O/c1-3(9)4-5(6)8-2-7-4/h2H,1H3,(H,7,8)
InChIKeyUIWYZIVTKWDRFI-UHFFFAOYSA-N
MW128.11 g/mol
LogP0.75
Rot. Bonds1

About 1-(5-fluoro-1H-imidazol-4-yl)ethanone

1-(5-fluoro-1H-imidazol-4-yl)ethanone (PubChem CID 89181276) has the molecular formula C5H5FN2O and a molecular weight of 128.11 g/mol. Its IUPAC name is 1-(5-fluoro-1H-imidazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(5-fluoro-1H-imidazol-4-yl)ethanone
PubChem CID89181276
Molecular FormulaC5H5FN2O
Molecular Weight128.11 g/mol
Exact Mass128.04
IUPAC Name1-(5-fluoro-1H-imidazol-4-yl)ethanone
SMILESCC(=O)c1nc[nH]c1F
InChIInChI=1S/C5H5FN2O/c1-3(9)4-5(6)8-2-7-4/h2H,1H3,(H,7,8)
InChIKeyUIWYZIVTKWDRFI-UHFFFAOYSA-N
XLogP0.75
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.11
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1H-imidazol-4-yl)ethanone?
The IUPAC name of 1-(5-fluoro-1H-imidazol-4-yl)ethanone (CID 89181276) is 1-(5-fluoro-1H-imidazol-4-yl)ethanone.
What is the SMILES notation for 1-(5-fluoro-1H-imidazol-4-yl)ethanone?
The canonical SMILES for 1-(5-fluoro-1H-imidazol-4-yl)ethanone is CC(=O)c1nc[nH]c1F.
What is the InChIKey of 1-(5-fluoro-1H-imidazol-4-yl)ethanone?
The InChIKey is UIWYZIVTKWDRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2O/c1-3(9)4-5(6)8-2-7-4/h2H,1H3,(H,7,8).
What are the key properties of 1-(5-fluoro-1H-imidazol-4-yl)ethanone?
1-(5-fluoro-1H-imidazol-4-yl)ethanone has a molecular weight of 128.11 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1H-imidazol-4-yl)ethanone is sourced from PubChem (CID 89181276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).