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

C11H10FNO2 — CID 22510340

IUPAC1-[(4-fluorophenyl)methyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C11H10FNO2/c12-9-3-1-8(2-4-9)7-13-10(14)5-6-11(13)15/h1-4H,5-7H2
InChIKeyUWLXBKCBVKMPAD-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.47
Rot. Bonds2

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

1-[(4-fluorophenyl)methyl]pyrrolidine-2,5-dione (PubChem CID 22510340) has the molecular formula C11H10FNO2 and a molecular weight of 207.20 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]pyrrolidine-2,5-dione
PubChem CID22510340
Molecular FormulaC11H10FNO2
Molecular Weight207.20 g/mol
Exact Mass207.07
IUPAC Name1-[(4-fluorophenyl)methyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C11H10FNO2/c12-9-3-1-8(2-4-9)7-13-10(14)5-6-11(13)15/h1-4H,5-7H2
InChIKeyUWLXBKCBVKMPAD-UHFFFAOYSA-N
XLogP1.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.47
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-fluorophenyl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(4-fluorophenyl)methyl]pyrrolidine-2,5-dione (CID 22510340) is 1-[(4-fluorophenyl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]pyrrolidine-2,5-dione?
The InChIKey is UWLXBKCBVKMPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2/c12-9-3-1-8(2-4-9)7-13-10(14)5-6-11(13)15/h1-4H,5-7H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]pyrrolidine-2,5-dione?
1-[(4-fluorophenyl)methyl]pyrrolidine-2,5-dione has a molecular weight of 207.20 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 22510340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).