3,4-difluoro-1-phenylpyrrole-2,5-dione

C10H5F2NO2 — CID 13059269

IUPAC3,4-difluoro-1-phenylpyrrole-2,5-dione
SMILESO=C1C(F)=C(F)C(=O)N1c1ccccc1
InChIInChI=1S/C10H5F2NO2/c11-7-8(12)10(15)13(9(7)14)6-4-2-1-3-5-6/h1-5H
InChIKeyYZXRAMDNEAABNC-UHFFFAOYSA-N
MW209.15 g/mol
LogP1.71
Rot. Bonds1

About 3,4-difluoro-1-phenylpyrrole-2,5-dione

3,4-difluoro-1-phenylpyrrole-2,5-dione (PubChem CID 13059269) has the molecular formula C10H5F2NO2 and a molecular weight of 209.15 g/mol. Its IUPAC name is 3,4-difluoro-1-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3,4-difluoro-1-phenylpyrrole-2,5-dione
PubChem CID13059269
Molecular FormulaC10H5F2NO2
Molecular Weight209.15 g/mol
Exact Mass209.03
IUPAC Name3,4-difluoro-1-phenylpyrrole-2,5-dione
SMILESO=C1C(F)=C(F)C(=O)N1c1ccccc1
InChIInChI=1S/C10H5F2NO2/c11-7-8(12)10(15)13(9(7)14)6-4-2-1-3-5-6/h1-5H
InChIKeyYZXRAMDNEAABNC-UHFFFAOYSA-N
XLogP1.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.15
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-1-phenylpyrrole-2,5-dione?
The IUPAC name of 3,4-difluoro-1-phenylpyrrole-2,5-dione (CID 13059269) is 3,4-difluoro-1-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3,4-difluoro-1-phenylpyrrole-2,5-dione?
The canonical SMILES for 3,4-difluoro-1-phenylpyrrole-2,5-dione is O=C1C(F)=C(F)C(=O)N1c1ccccc1.
What is the InChIKey of 3,4-difluoro-1-phenylpyrrole-2,5-dione?
The InChIKey is YZXRAMDNEAABNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F2NO2/c11-7-8(12)10(15)13(9(7)14)6-4-2-1-3-5-6/h1-5H.
What are the key properties of 3,4-difluoro-1-phenylpyrrole-2,5-dione?
3,4-difluoro-1-phenylpyrrole-2,5-dione has a molecular weight of 209.15 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-1-phenylpyrrole-2,5-dione is sourced from PubChem (CID 13059269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).