3-fluoropyrrole-2,5-dione

C4H2FNO2 — CID 66915170

IUPAC3-fluoropyrrole-2,5-dione
SMILESO=C1C=C(F)C(=O)N1
InChIInChI=1S/C4H2FNO2/c5-2-1-3(7)6-4(2)8/h1H,(H,6,7,8)
InChIKeyBKTAWDAUXDVFMU-UHFFFAOYSA-N
MW115.06 g/mol
LogP-0.50
Rot. Bonds

About 3-fluoropyrrole-2,5-dione

3-fluoropyrrole-2,5-dione (PubChem CID 66915170) has the molecular formula C4H2FNO2 and a molecular weight of 115.06 g/mol. Its IUPAC name is 3-fluoropyrrole-2,5-dione.

Molecular Properties

Compound Name3-fluoropyrrole-2,5-dione
PubChem CID66915170
Molecular FormulaC4H2FNO2
Molecular Weight115.06 g/mol
Exact Mass115.01
IUPAC Name3-fluoropyrrole-2,5-dione
SMILESO=C1C=C(F)C(=O)N1
InChIInChI=1S/C4H2FNO2/c5-2-1-3(7)6-4(2)8/h1H,(H,6,7,8)
InChIKeyBKTAWDAUXDVFMU-UHFFFAOYSA-N
XLogP-0.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.06
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-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

Related Compounds

Maleimide
CID 10935
3-(Trifluoromethyl)-1H-pyrrole-2,5-dione
CID 21399352
Sulfhydryl-maleimide
CID 21967206
3-(Disulfanyl)pyrrole-2,5-dione
CID 22340787
Iodomaleimide
CID 22571157
Maleimide-water
CID 129656466
(1-~2~H)-1H-Pyrrole-2,5-dione
CID 13000228
N-(2-fluoroacetyl)prop-2-enamide
CID 22568305
(E)-N-acetyl-2-fluorobut-2-enamide
CID 89609534
2-fluoro-N-prop-2-enoylprop-2-enamide
CID 132133507
Silver pyrrole-2,5-dione
CID 20161669
1,1,1,2,2,3,3,4-Octafluorobutane;pyrrole-2,5-dione
CID 157440438

Frequently Asked Questions

What is the IUPAC name of 3-fluoropyrrole-2,5-dione?
The IUPAC name of 3-fluoropyrrole-2,5-dione (CID 66915170) is 3-fluoropyrrole-2,5-dione.
What is the SMILES notation for 3-fluoropyrrole-2,5-dione?
The canonical SMILES for 3-fluoropyrrole-2,5-dione is O=C1C=C(F)C(=O)N1.
What is the InChIKey of 3-fluoropyrrole-2,5-dione?
The InChIKey is BKTAWDAUXDVFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2FNO2/c5-2-1-3(7)6-4(2)8/h1H,(H,6,7,8).
What are the key properties of 3-fluoropyrrole-2,5-dione?
3-fluoropyrrole-2,5-dione has a molecular weight of 115.06 g/mol, XLogP of -0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropyrrole-2,5-dione is sourced from PubChem (CID 66915170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).