1,3-difluoropyrrole-2,5-dione

C4HF2NO2 — CID 88791500

IUPAC1,3-difluoropyrrole-2,5-dione
SMILESO=C1C=C(F)C(=O)N1F
InChIInChI=1S/C4HF2NO2/c5-2-1-3(8)7(6)4(2)9/h1H
InChIKeyOLSGXVPPTSRLDN-UHFFFAOYSA-N
MW133.05 g/mol
LogP0.09
Rot. Bonds

About 1,3-difluoropyrrole-2,5-dione

1,3-difluoropyrrole-2,5-dione (PubChem CID 88791500) has the molecular formula C4HF2NO2 and a molecular weight of 133.05 g/mol. Its IUPAC name is 1,3-difluoropyrrole-2,5-dione.

Molecular Properties

Compound Name1,3-difluoropyrrole-2,5-dione
PubChem CID88791500
Molecular FormulaC4HF2NO2
Molecular Weight133.05 g/mol
Exact Mass133.00
IUPAC Name1,3-difluoropyrrole-2,5-dione
SMILESO=C1C=C(F)C(=O)N1F
InChIInChI=1S/C4HF2NO2/c5-2-1-3(8)7(6)4(2)9/h1H
InChIKeyOLSGXVPPTSRLDN-UHFFFAOYSA-N
XLogP0.09
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.05
LogP ≤ 50.09
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'}

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Related Compounds

1-(Trifluoromethoxy)pyrrole-2,5-dione
CID 19076718
1-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)pyrrole-2,5-dione
CID 22182914
1-(Trifluoromethyl)-3-pyrroline-2,5-dione
CID 22182915
1-(1,1,2,2,2-Pentafluoroethyl)pyrrole-2,5-dione
CID 22182925
1-Fluoropyrrole-2,5-dione
CID 57468289
1-(1,1,1,2,3,3-Hexafluoropropan-2-yl)pyrrole-2,5-dione
CID 87533793
1-(2-Fluoroprop-2-enoyl)pyrrole-2,5-dione
CID 139381363
1-(2,2-Difluoroacetyl)pyrrole-2,5-dione
CID 150707464
Potassium;pyrrol-1-ide-2,5-dione;fluoride
CID 60014564

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoropyrrole-2,5-dione?
The IUPAC name of 1,3-difluoropyrrole-2,5-dione (CID 88791500) is 1,3-difluoropyrrole-2,5-dione.
What is the SMILES notation for 1,3-difluoropyrrole-2,5-dione?
The canonical SMILES for 1,3-difluoropyrrole-2,5-dione is O=C1C=C(F)C(=O)N1F.
What is the InChIKey of 1,3-difluoropyrrole-2,5-dione?
The InChIKey is OLSGXVPPTSRLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF2NO2/c5-2-1-3(8)7(6)4(2)9/h1H.
What are the key properties of 1,3-difluoropyrrole-2,5-dione?
1,3-difluoropyrrole-2,5-dione has a molecular weight of 133.05 g/mol, XLogP of 0.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoropyrrole-2,5-dione is sourced from PubChem (CID 88791500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).