1-(2-chloro-4-fluorophenyl)pyrrolidine-2,4-dione

C10H7ClFNO2 — CID 79515549

IUPAC1-(2-chloro-4-fluorophenyl)pyrrolidine-2,4-dione
SMILESO=C1CC(=O)N(c2ccc(F)cc2Cl)C1
InChIInChI=1S/C10H7ClFNO2/c11-8-3-6(12)1-2-9(8)13-5-7(14)4-10(13)15/h1-3H,4-5H2
InChIKeyHMBYHRLXCARQTB-UHFFFAOYSA-N
MW227.62 g/mol
LogP1.78
Rot. Bonds1

About 1-(2-chloro-4-fluorophenyl)pyrrolidine-2,4-dione

1-(2-chloro-4-fluorophenyl)pyrrolidine-2,4-dione (PubChem CID 79515549) has the molecular formula C10H7ClFNO2 and a molecular weight of 227.62 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)pyrrolidine-2,4-dione.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)pyrrolidine-2,4-dione
PubChem CID79515549
Molecular FormulaC10H7ClFNO2
Molecular Weight227.62 g/mol
Exact Mass227.01
IUPAC Name1-(2-chloro-4-fluorophenyl)pyrrolidine-2,4-dione
SMILESO=C1CC(=O)N(c2ccc(F)cc2Cl)C1
InChIInChI=1S/C10H7ClFNO2/c11-8-3-6(12)1-2-9(8)13-5-7(14)4-10(13)15/h1-3H,4-5H2
InChIKeyHMBYHRLXCARQTB-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': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)pyrrolidine-2,4-dione?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)pyrrolidine-2,4-dione (CID 79515549) is 1-(2-chloro-4-fluorophenyl)pyrrolidine-2,4-dione.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)pyrrolidine-2,4-dione?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)pyrrolidine-2,4-dione is O=C1CC(=O)N(c2ccc(F)cc2Cl)C1.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)pyrrolidine-2,4-dione?
The InChIKey is HMBYHRLXCARQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNO2/c11-8-3-6(12)1-2-9(8)13-5-7(14)4-10(13)15/h1-3H,4-5H2.
What are the key properties of 1-(2-chloro-4-fluorophenyl)pyrrolidine-2,4-dione?
1-(2-chloro-4-fluorophenyl)pyrrolidine-2,4-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-4-fluorophenyl)pyrrolidine-2,4-dione is sourced from PubChem (CID 79515549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).