2-(5-fluoro-2-nitrophenoxy)-1-(1H-pyrrol-2-yl)ethanone

C12H9FN2O4 — CID 7846147

IUPAC2-(5-fluoro-2-nitrophenoxy)-1-(1H-pyrrol-2-yl)ethanone
SMILESO=C(COc1cc(F)ccc1[N+](=O)[O-])c1ccc[nH]1
InChIInChI=1S/C12H9FN2O4/c13-8-3-4-10(15(17)18)12(6-8)19-7-11(16)9-2-1-5-14-9/h1-6,14H,7H2
InChIKeyXUTPNZVMZULRMG-UHFFFAOYSA-N
MW264.21 g/mol
LogP2.32
Rot. Bonds5

About 2-(5-fluoro-2-nitrophenoxy)-1-(1H-pyrrol-2-yl)ethanone

2-(5-fluoro-2-nitrophenoxy)-1-(1H-pyrrol-2-yl)ethanone (PubChem CID 7846147) has the molecular formula C12H9FN2O4 and a molecular weight of 264.21 g/mol. Its IUPAC name is 2-(5-fluoro-2-nitrophenoxy)-1-(1H-pyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-(5-fluoro-2-nitrophenoxy)-1-(1H-pyrrol-2-yl)ethanone
PubChem CID7846147
Molecular FormulaC12H9FN2O4
Molecular Weight264.21 g/mol
Exact Mass264.05
IUPAC Name2-(5-fluoro-2-nitrophenoxy)-1-(1H-pyrrol-2-yl)ethanone
SMILESO=C(COc1cc(F)ccc1[N+](=O)[O-])c1ccc[nH]1
InChIInChI=1S/C12H9FN2O4/c13-8-3-4-10(15(17)18)12(6-8)19-7-11(16)9-2-1-5-14-9/h1-6,14H,7H2
InChIKeyXUTPNZVMZULRMG-UHFFFAOYSA-N
XLogP2.32
TPSA85.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(5-fluoro-2-nitrophenoxy)-1-(1H-pyrrol-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-nitrophenoxy)-1-(1H-pyrrol-2-yl)ethanone?
The IUPAC name of 2-(5-fluoro-2-nitrophenoxy)-1-(1H-pyrrol-2-yl)ethanone (CID 7846147) is 2-(5-fluoro-2-nitrophenoxy)-1-(1H-pyrrol-2-yl)ethanone.
What is the SMILES notation for 2-(5-fluoro-2-nitrophenoxy)-1-(1H-pyrrol-2-yl)ethanone?
The canonical SMILES for 2-(5-fluoro-2-nitrophenoxy)-1-(1H-pyrrol-2-yl)ethanone is O=C(COc1cc(F)ccc1[N+](=O)[O-])c1ccc[nH]1.
What is the InChIKey of 2-(5-fluoro-2-nitrophenoxy)-1-(1H-pyrrol-2-yl)ethanone?
The InChIKey is XUTPNZVMZULRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O4/c13-8-3-4-10(15(17)18)12(6-8)19-7-11(16)9-2-1-5-14-9/h1-6,14H,7H2.
What are the key properties of 2-(5-fluoro-2-nitrophenoxy)-1-(1H-pyrrol-2-yl)ethanone?
2-(5-fluoro-2-nitrophenoxy)-1-(1H-pyrrol-2-yl)ethanone has a molecular weight of 264.21 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-nitrophenoxy)-1-(1H-pyrrol-2-yl)ethanone is sourced from PubChem (CID 7846147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).