1-(2-chloro-5-fluorophenyl)pyrrolidine-2,3-dione

C10H7ClFNO2 — CID 107528742

IUPAC1-(2-chloro-5-fluorophenyl)pyrrolidine-2,3-dione
SMILESO=C1CCN(c2cc(F)ccc2Cl)C1=O
InChIInChI=1S/C10H7ClFNO2/c11-7-2-1-6(12)5-8(7)13-4-3-9(14)10(13)15/h1-2,5H,3-4H2
InChIKeyFEVPPPAOTKCTGY-UHFFFAOYSA-N
MW227.62 g/mol
LogP1.78
Rot. Bonds1

About 1-(2-chloro-5-fluorophenyl)pyrrolidine-2,3-dione

1-(2-chloro-5-fluorophenyl)pyrrolidine-2,3-dione (PubChem CID 107528742) has the molecular formula C10H7ClFNO2 and a molecular weight of 227.62 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)pyrrolidine-2,3-dione
PubChem CID107528742
Molecular FormulaC10H7ClFNO2
Molecular Weight227.62 g/mol
Exact Mass227.01
IUPAC Name1-(2-chloro-5-fluorophenyl)pyrrolidine-2,3-dione
SMILESO=C1CCN(c2cc(F)ccc2Cl)C1=O
InChIInChI=1S/C10H7ClFNO2/c11-7-2-1-6(12)5-8(7)13-4-3-9(14)10(13)15/h1-2,5H,3-4H2
InChIKeyFEVPPPAOTKCTGY-UHFFFAOYSA-N
XLogP1.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.62
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)pyrrolidine-2,3-dione?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)pyrrolidine-2,3-dione (CID 107528742) is 1-(2-chloro-5-fluorophenyl)pyrrolidine-2,3-dione.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)pyrrolidine-2,3-dione?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)pyrrolidine-2,3-dione is O=C1CCN(c2cc(F)ccc2Cl)C1=O.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)pyrrolidine-2,3-dione?
The InChIKey is FEVPPPAOTKCTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNO2/c11-7-2-1-6(12)5-8(7)13-4-3-9(14)10(13)15/h1-2,5H,3-4H2.
What are the key properties of 1-(2-chloro-5-fluorophenyl)pyrrolidine-2,3-dione?
1-(2-chloro-5-fluorophenyl)pyrrolidine-2,3-dione has a molecular weight of 227.62 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 107528742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).