3-(2-bromo-4,6-difluorophenyl)pyrrole-2,5-dione

C10H4BrF2NO2 — CID 106695073

IUPAC3-(2-bromo-4,6-difluorophenyl)pyrrole-2,5-dione
SMILESO=C1C=C(c2c(F)cc(F)cc2Br)C(=O)N1
InChIInChI=1S/C10H4BrF2NO2/c11-6-1-4(12)2-7(13)9(6)5-3-8(15)14-10(5)16/h1-3H,(H,14,15,16)
InChIKeyWASNOSMWZVIFDZ-UHFFFAOYSA-N
MW288.05 g/mol
LogP1.77
Rot. Bonds1

About 3-(2-bromo-4,6-difluorophenyl)pyrrole-2,5-dione

3-(2-bromo-4,6-difluorophenyl)pyrrole-2,5-dione (PubChem CID 106695073) has the molecular formula C10H4BrF2NO2 and a molecular weight of 288.05 g/mol. Its IUPAC name is 3-(2-bromo-4,6-difluorophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2-bromo-4,6-difluorophenyl)pyrrole-2,5-dione
PubChem CID106695073
Molecular FormulaC10H4BrF2NO2
Molecular Weight288.05 g/mol
Exact Mass286.94
IUPAC Name3-(2-bromo-4,6-difluorophenyl)pyrrole-2,5-dione
SMILESO=C1C=C(c2c(F)cc(F)cc2Br)C(=O)N1
InChIInChI=1S/C10H4BrF2NO2/c11-6-1-4(12)2-7(13)9(6)5-3-8(15)14-10(5)16/h1-3H,(H,14,15,16)
InChIKeyWASNOSMWZVIFDZ-UHFFFAOYSA-N
XLogP1.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.05
LogP ≤ 51.77
H-Bond Donors ≤ 51
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-(2-bromo-4,6-difluorophenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(2-bromo-4,6-difluorophenyl)pyrrole-2,5-dione (CID 106695073) is 3-(2-bromo-4,6-difluorophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2-bromo-4,6-difluorophenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2-bromo-4,6-difluorophenyl)pyrrole-2,5-dione is O=C1C=C(c2c(F)cc(F)cc2Br)C(=O)N1.
What is the InChIKey of 3-(2-bromo-4,6-difluorophenyl)pyrrole-2,5-dione?
The InChIKey is WASNOSMWZVIFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrF2NO2/c11-6-1-4(12)2-7(13)9(6)5-3-8(15)14-10(5)16/h1-3H,(H,14,15,16).
What are the key properties of 3-(2-bromo-4,6-difluorophenyl)pyrrole-2,5-dione?
3-(2-bromo-4,6-difluorophenyl)pyrrole-2,5-dione has a molecular weight of 288.05 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4,6-difluorophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 106695073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).