1-[4-(bromomethyl)-2-fluorophenyl]pyrrolidine-2,5-dione

C11H9BrFNO2 — CID 89222939

IUPAC1-[4-(bromomethyl)-2-fluorophenyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1ccc(CBr)cc1F
InChIInChI=1S/C11H9BrFNO2/c12-6-7-1-2-9(8(13)5-7)14-10(15)3-4-11(14)16/h1-2,5H,3-4,6H2
InChIKeyKGFBZDGTDQLMDD-UHFFFAOYSA-N
MW286.10 g/mol
LogP2.37
Rot. Bonds2

About 1-[4-(bromomethyl)-2-fluorophenyl]pyrrolidine-2,5-dione

1-[4-(bromomethyl)-2-fluorophenyl]pyrrolidine-2,5-dione (PubChem CID 89222939) has the molecular formula C11H9BrFNO2 and a molecular weight of 286.10 g/mol. Its IUPAC name is 1-[4-(bromomethyl)-2-fluorophenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-(bromomethyl)-2-fluorophenyl]pyrrolidine-2,5-dione
PubChem CID89222939
Molecular FormulaC11H9BrFNO2
Molecular Weight286.10 g/mol
Exact Mass284.98
IUPAC Name1-[4-(bromomethyl)-2-fluorophenyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1ccc(CBr)cc1F
InChIInChI=1S/C11H9BrFNO2/c12-6-7-1-2-9(8(13)5-7)14-10(15)3-4-11(14)16/h1-2,5H,3-4,6H2
InChIKeyKGFBZDGTDQLMDD-UHFFFAOYSA-N
XLogP2.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.10
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(bromomethyl)-2-fluorophenyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[4-(bromomethyl)-2-fluorophenyl]pyrrolidine-2,5-dione (CID 89222939) is 1-[4-(bromomethyl)-2-fluorophenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-(bromomethyl)-2-fluorophenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-(bromomethyl)-2-fluorophenyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1c1ccc(CBr)cc1F.
What is the InChIKey of 1-[4-(bromomethyl)-2-fluorophenyl]pyrrolidine-2,5-dione?
The InChIKey is KGFBZDGTDQLMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFNO2/c12-6-7-1-2-9(8(13)5-7)14-10(15)3-4-11(14)16/h1-2,5H,3-4,6H2.
What are the key properties of 1-[4-(bromomethyl)-2-fluorophenyl]pyrrolidine-2,5-dione?
1-[4-(bromomethyl)-2-fluorophenyl]pyrrolidine-2,5-dione has a molecular weight of 286.10 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(bromomethyl)-2-fluorophenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 89222939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).