1-(4-bromo-2-fluorophenyl)-3-methylpyrrole-2,5-dione

C11H7BrFNO2 — CID 43236226

IUPAC1-(4-bromo-2-fluorophenyl)-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(c2ccc(Br)cc2F)C1=O
InChIInChI=1S/C11H7BrFNO2/c1-6-4-10(15)14(11(6)16)9-3-2-7(12)5-8(9)13/h2-5H,1H3
InChIKeyGZDHFDYFBUPXBO-UHFFFAOYSA-N
MW284.08 g/mol
LogP2.41
Rot. Bonds1

About 1-(4-bromo-2-fluorophenyl)-3-methylpyrrole-2,5-dione

1-(4-bromo-2-fluorophenyl)-3-methylpyrrole-2,5-dione (PubChem CID 43236226) has the molecular formula C11H7BrFNO2 and a molecular weight of 284.08 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-3-methylpyrrole-2,5-dione
PubChem CID43236226
Molecular FormulaC11H7BrFNO2
Molecular Weight284.08 g/mol
Exact Mass282.96
IUPAC Name1-(4-bromo-2-fluorophenyl)-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(c2ccc(Br)cc2F)C1=O
InChIInChI=1S/C11H7BrFNO2/c1-6-4-10(15)14(11(6)16)9-3-2-7(12)5-8(9)13/h2-5H,1H3
InChIKeyGZDHFDYFBUPXBO-UHFFFAOYSA-N
XLogP2.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.08
LogP ≤ 52.41
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 1-(4-bromo-2-fluorophenyl)-3-methylpyrrole-2,5-dione?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-methylpyrrole-2,5-dione (CID 43236226) is 1-(4-bromo-2-fluorophenyl)-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-3-methylpyrrole-2,5-dione is CC1=CC(=O)N(c2ccc(Br)cc2F)C1=O.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-3-methylpyrrole-2,5-dione?
The InChIKey is GZDHFDYFBUPXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFNO2/c1-6-4-10(15)14(11(6)16)9-3-2-7(12)5-8(9)13/h2-5H,1H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-3-methylpyrrole-2,5-dione?
1-(4-bromo-2-fluorophenyl)-3-methylpyrrole-2,5-dione has a molecular weight of 284.08 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 43236226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).