(2,5-dioxopyrrolidin-1-yl) 4-fluorobenzoate

C11H8FNO4 — CID 10014374

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-fluorobenzoate
SMILESO=C(ON1C(=O)CCC1=O)c1ccc(F)cc1
InChIInChI=1S/C11H8FNO4/c12-8-3-1-7(2-4-8)11(16)17-13-9(14)5-6-10(13)15/h1-4H,5-6H2
InChIKeyLSSQMISUDUUZCC-UHFFFAOYSA-N
MW237.19 g/mol
LogP1.05
Rot. Bonds2

About (2,5-dioxopyrrolidin-1-yl) 4-fluorobenzoate

(2,5-dioxopyrrolidin-1-yl) 4-fluorobenzoate (PubChem CID 10014374) has the molecular formula C11H8FNO4 and a molecular weight of 237.19 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-fluorobenzoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-fluorobenzoate
PubChem CID10014374
Molecular FormulaC11H8FNO4
Molecular Weight237.19 g/mol
Exact Mass237.04
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-fluorobenzoate
SMILESO=C(ON1C(=O)CCC1=O)c1ccc(F)cc1
InChIInChI=1S/C11H8FNO4/c12-8-3-1-7(2-4-8)11(16)17-13-9(14)5-6-10(13)15/h1-4H,5-6H2
InChIKeyLSSQMISUDUUZCC-UHFFFAOYSA-N
XLogP1.05
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.19
LogP ≤ 51.05
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 (2,5-dioxopyrrolidin-1-yl) 4-fluorobenzoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-fluorobenzoate (CID 10014374) is (2,5-dioxopyrrolidin-1-yl) 4-fluorobenzoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-fluorobenzoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-fluorobenzoate is O=C(ON1C(=O)CCC1=O)c1ccc(F)cc1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-fluorobenzoate?
The InChIKey is LSSQMISUDUUZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO4/c12-8-3-1-7(2-4-8)11(16)17-13-9(14)5-6-10(13)15/h1-4H,5-6H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-fluorobenzoate?
(2,5-dioxopyrrolidin-1-yl) 4-fluorobenzoate has a molecular weight of 237.19 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 4-fluorobenzoate is sourced from PubChem (CID 10014374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).