2-(4-fluorophenoxy)-1-imidazol-1-ylethanone

C11H9FN2O2 — CID 82114299

IUPAC2-(4-fluorophenoxy)-1-imidazol-1-ylethanone
SMILESO=C(COc1ccc(F)cc1)n1ccnc1
InChIInChI=1S/C11H9FN2O2/c12-9-1-3-10(4-2-9)16-7-11(15)14-6-5-13-8-14/h1-6,8H,7H2
InChIKeyGVADBITUPKIIEU-UHFFFAOYSA-N
MW220.20 g/mol
LogP1.74
Rot. Bonds3

About 2-(4-fluorophenoxy)-1-imidazol-1-ylethanone

2-(4-fluorophenoxy)-1-imidazol-1-ylethanone (PubChem CID 82114299) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-1-imidazol-1-ylethanone.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-1-imidazol-1-ylethanone
PubChem CID82114299
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name2-(4-fluorophenoxy)-1-imidazol-1-ylethanone
SMILESO=C(COc1ccc(F)cc1)n1ccnc1
InChIInChI=1S/C11H9FN2O2/c12-9-1-3-10(4-2-9)16-7-11(15)14-6-5-13-8-14/h1-6,8H,7H2
InChIKeyGVADBITUPKIIEU-UHFFFAOYSA-N
XLogP1.74
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2-imidazol-1-yl-2-oxoethoxy)phenyl]-4-oxobutanoic acid
CID 44513962
1-imidazol-1-yl-2-(3-methylphenoxy)ethanone
CID 82113730
2-(2,6-dimethoxyphenoxy)-1-imidazol-1-ylethanone
CID 94274471
3-(4-ethoxyphenoxy)-1-imidazol-1-ylpropan-1-one
CID 94273200
1-imidazol-1-yl-3-phenoxypropan-1-one
CID 82113731
1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 154828949
1-[4-(4-fluorophenoxy)butyl]imidazole
CID 31196577
2-(2-imidazol-1-yl-2-oxoethoxy)acetic acid
CID 53215757
1-[5-(4-fluorophenoxy)pentyl]imidazole
CID 2851826
N-[(4-fluorophenyl)methyl]imidazole-1-carboxamide
CID 39869812
2-(4-fluorophenoxy)-N-(4-pyrazol-1-ylphenyl)acetamide
CID 38416896
1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]butan-1-one
CID 110817306

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-1-imidazol-1-ylethanone?
The IUPAC name of 2-(4-fluorophenoxy)-1-imidazol-1-ylethanone (CID 82114299) is 2-(4-fluorophenoxy)-1-imidazol-1-ylethanone.
What is the SMILES notation for 2-(4-fluorophenoxy)-1-imidazol-1-ylethanone?
The canonical SMILES for 2-(4-fluorophenoxy)-1-imidazol-1-ylethanone is O=C(COc1ccc(F)cc1)n1ccnc1.
What is the InChIKey of 2-(4-fluorophenoxy)-1-imidazol-1-ylethanone?
The InChIKey is GVADBITUPKIIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c12-9-1-3-10(4-2-9)16-7-11(15)14-6-5-13-8-14/h1-6,8H,7H2.
What are the key properties of 2-(4-fluorophenoxy)-1-imidazol-1-ylethanone?
2-(4-fluorophenoxy)-1-imidazol-1-ylethanone has a molecular weight of 220.20 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-1-imidazol-1-ylethanone is sourced from PubChem (CID 82114299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).