1-(4-fluorobenzoyl)pyrrolidine-2,5-dione

C11H8FNO3 — CID 790945

IUPAC1-(4-fluorobenzoyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1C(=O)c1ccc(F)cc1
InChIInChI=1S/C11H8FNO3/c12-8-3-1-7(2-4-8)11(16)13-9(14)5-6-10(13)15/h1-4H,5-6H2
InChIKeyDEJAXJTZEDRGET-UHFFFAOYSA-N
MW221.19 g/mol
LogP1.11
Rot. Bonds1

About 1-(4-fluorobenzoyl)pyrrolidine-2,5-dione

1-(4-fluorobenzoyl)pyrrolidine-2,5-dione (PubChem CID 790945) has the molecular formula C11H8FNO3 and a molecular weight of 221.19 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)pyrrolidine-2,5-dione
PubChem CID790945
Molecular FormulaC11H8FNO3
Molecular Weight221.19 g/mol
Exact Mass221.05
IUPAC Name1-(4-fluorobenzoyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1C(=O)c1ccc(F)cc1
InChIInChI=1S/C11H8FNO3/c12-8-3-1-7(2-4-8)11(16)13-9(14)5-6-10(13)15/h1-4H,5-6H2
InChIKeyDEJAXJTZEDRGET-UHFFFAOYSA-N
XLogP1.11
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-fluorobenzoyl)pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluorobenzoyl)isoindole-1,3-dione
CID 3643646
4-amino-1-(4-fluorobenzoyl)pyrrolidin-2-one
CID 112534687
1-[1-(4-fluorophenyl)ethenoxy]pyrrolidine-2,5-dione
CID 89431263
1,3-dihydroisoindol-2-yl-(4-fluorophenyl)methanone
CID 62230828
(5,5-dioxophenothiazin-10-yl)-(4-fluorophenyl)methanone
CID 66507232
(4-fluorophenyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
CID 36507181
4-fluorobenzoic acid;pyrrolidine-2,5-dione
CID 174629603
1-[3-(4-fluorophenyl)-3-oxopropyl]azetidin-2-one
CID 143425472
3-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 110802367
(2S)-N,N-diethyl-1-(4-fluorobenzoyl)-5-oxopyrrolidine-2-carboxamide
CID 21149631
4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxylic acid
CID 67493364
4-(4-fluorobenzoyl)piperazine-1-carbaldehyde
CID 2876745

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-fluorobenzoyl)pyrrolidine-2,5-dione (CID 790945) is 1-(4-fluorobenzoyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-fluorobenzoyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-fluorobenzoyl)pyrrolidine-2,5-dione is O=C1CCC(=O)N1C(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorobenzoyl)pyrrolidine-2,5-dione?
The InChIKey is DEJAXJTZEDRGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO3/c12-8-3-1-7(2-4-8)11(16)13-9(14)5-6-10(13)15/h1-4H,5-6H2.
What are the key properties of 1-(4-fluorobenzoyl)pyrrolidine-2,5-dione?
1-(4-fluorobenzoyl)pyrrolidine-2,5-dione has a molecular weight of 221.19 g/mol, XLogP of 1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 790945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).