1-(2,2-difluoroacetyl)pyrrole-2,5-dione

C6H3F2NO3 — CID 150707464

IUPAC1-(2,2-difluoroacetyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1C(=O)C(F)F
InChIInChI=1S/C6H3F2NO3/c7-5(8)6(12)9-3(10)1-2-4(9)11/h1-2,5H
InChIKeyJNEAHLQTMDDIHU-UHFFFAOYSA-N
MW175.09 g/mol
LogP-0.30
Rot. Bonds1

About 1-(2,2-difluoroacetyl)pyrrole-2,5-dione

1-(2,2-difluoroacetyl)pyrrole-2,5-dione (PubChem CID 150707464) has the molecular formula C6H3F2NO3 and a molecular weight of 175.09 g/mol. Its IUPAC name is 1-(2,2-difluoroacetyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,2-difluoroacetyl)pyrrole-2,5-dione
PubChem CID150707464
Molecular FormulaC6H3F2NO3
Molecular Weight175.09 g/mol
Exact Mass175.01
IUPAC Name1-(2,2-difluoroacetyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1C(=O)C(F)F
InChIInChI=1S/C6H3F2NO3/c7-5(8)6(12)9-3(10)1-2-4(9)11/h1-2,5H
InChIKeyJNEAHLQTMDDIHU-UHFFFAOYSA-N
XLogP-0.30
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.09
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroacetyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2,2-difluoroacetyl)pyrrole-2,5-dione (CID 150707464) is 1-(2,2-difluoroacetyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2,2-difluoroacetyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2,2-difluoroacetyl)pyrrole-2,5-dione is O=C1C=CC(=O)N1C(=O)C(F)F.
What is the InChIKey of 1-(2,2-difluoroacetyl)pyrrole-2,5-dione?
The InChIKey is JNEAHLQTMDDIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F2NO3/c7-5(8)6(12)9-3(10)1-2-4(9)11/h1-2,5H.
What are the key properties of 1-(2,2-difluoroacetyl)pyrrole-2,5-dione?
1-(2,2-difluoroacetyl)pyrrole-2,5-dione has a molecular weight of 175.09 g/mol, XLogP of -0.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroacetyl)pyrrole-2,5-dione is sourced from PubChem (CID 150707464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).