1-[1-(3-fluorophenyl)-1-oxopropan-2-yl]oxypyrrolidine-2,5-dione

C13H12FNO4 — CID 122383158

IUPAC1-[1-(3-fluorophenyl)-1-oxopropan-2-yl]oxypyrrolidine-2,5-dione
SMILESCC(ON1C(=O)CCC1=O)C(=O)c1cccc(F)c1
InChIInChI=1S/C13H12FNO4/c1-8(19-15-11(16)5-6-12(15)17)13(18)9-3-2-4-10(14)7-9/h2-4,7-8H,5-6H2,1H3
InChIKeyKUPJMVNIHVKJPY-UHFFFAOYSA-N
MW265.24 g/mol
LogP1.48
Rot. Bonds4

About 1-[1-(3-fluorophenyl)-1-oxopropan-2-yl]oxypyrrolidine-2,5-dione

1-[1-(3-fluorophenyl)-1-oxopropan-2-yl]oxypyrrolidine-2,5-dione (PubChem CID 122383158) has the molecular formula C13H12FNO4 and a molecular weight of 265.24 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)-1-oxopropan-2-yl]oxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[1-(3-fluorophenyl)-1-oxopropan-2-yl]oxypyrrolidine-2,5-dione
PubChem CID122383158
Molecular FormulaC13H12FNO4
Molecular Weight265.24 g/mol
Exact Mass265.08
IUPAC Name1-[1-(3-fluorophenyl)-1-oxopropan-2-yl]oxypyrrolidine-2,5-dione
SMILESCC(ON1C(=O)CCC1=O)C(=O)c1cccc(F)c1
InChIInChI=1S/C13H12FNO4/c1-8(19-15-11(16)5-6-12(15)17)13(18)9-3-2-4-10(14)7-9/h2-4,7-8H,5-6H2,1H3
InChIKeyKUPJMVNIHVKJPY-UHFFFAOYSA-N
XLogP1.48
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[1-(3-fluorophenyl)-1-oxopropan-2-yl]oxypyrrolidine-2,5-dione?
The IUPAC name of 1-[1-(3-fluorophenyl)-1-oxopropan-2-yl]oxypyrrolidine-2,5-dione (CID 122383158) is 1-[1-(3-fluorophenyl)-1-oxopropan-2-yl]oxypyrrolidine-2,5-dione.
What is the SMILES notation for 1-[1-(3-fluorophenyl)-1-oxopropan-2-yl]oxypyrrolidine-2,5-dione?
The canonical SMILES for 1-[1-(3-fluorophenyl)-1-oxopropan-2-yl]oxypyrrolidine-2,5-dione is CC(ON1C(=O)CCC1=O)C(=O)c1cccc(F)c1.
What is the InChIKey of 1-[1-(3-fluorophenyl)-1-oxopropan-2-yl]oxypyrrolidine-2,5-dione?
The InChIKey is KUPJMVNIHVKJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO4/c1-8(19-15-11(16)5-6-12(15)17)13(18)9-3-2-4-10(14)7-9/h2-4,7-8H,5-6H2,1H3.
What are the key properties of 1-[1-(3-fluorophenyl)-1-oxopropan-2-yl]oxypyrrolidine-2,5-dione?
1-[1-(3-fluorophenyl)-1-oxopropan-2-yl]oxypyrrolidine-2,5-dione has a molecular weight of 265.24 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluorophenyl)-1-oxopropan-2-yl]oxypyrrolidine-2,5-dione is sourced from PubChem (CID 122383158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).