1-fluoropyrrole-2,5-dione

C4H2FNO2 — CID 57468289

IUPAC1-fluoropyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1F
InChIInChI=1S/C4H2FNO2/c5-6-3(7)1-2-4(6)8/h1-2H
InChIKeyPGYCQFLVAQAHJV-UHFFFAOYSA-N
MW115.06 g/mol
LogP-0.20
Rot. Bonds

About 1-fluoropyrrole-2,5-dione

1-fluoropyrrole-2,5-dione (PubChem CID 57468289) has the molecular formula C4H2FNO2 and a molecular weight of 115.06 g/mol. Its IUPAC name is 1-fluoropyrrole-2,5-dione.

Molecular Properties

Compound Name1-fluoropyrrole-2,5-dione
PubChem CID57468289
Molecular FormulaC4H2FNO2
Molecular Weight115.06 g/mol
Exact Mass115.01
IUPAC Name1-fluoropyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1F
InChIInChI=1S/C4H2FNO2/c5-6-3(7)1-2-4(6)8/h1-2H
InChIKeyPGYCQFLVAQAHJV-UHFFFAOYSA-N
XLogP-0.20
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.06
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-fluoropyrrole-2,5-dione 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 1-fluoropyrrole-2,5-dione?
The IUPAC name of 1-fluoropyrrole-2,5-dione (CID 57468289) is 1-fluoropyrrole-2,5-dione.
What is the SMILES notation for 1-fluoropyrrole-2,5-dione?
The canonical SMILES for 1-fluoropyrrole-2,5-dione is O=C1C=CC(=O)N1F.
What is the InChIKey of 1-fluoropyrrole-2,5-dione?
The InChIKey is PGYCQFLVAQAHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2FNO2/c5-6-3(7)1-2-4(6)8/h1-2H.
What are the key properties of 1-fluoropyrrole-2,5-dione?
1-fluoropyrrole-2,5-dione has a molecular weight of 115.06 g/mol, XLogP of -0.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoropyrrole-2,5-dione is sourced from PubChem (CID 57468289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).