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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Related Compounds

1-(4-fluoro-2-iodophenyl)pyrrolidine-2,3-dione
CID 79766126
3-tert-butyl-1-(2-chloro-5-fluorophenyl)-1,4-diazepane-2,5-dione
CID 107531603
1-(2-bromo-3-chlorophenyl)pyrrolidine-2,3-dione
CID 103479649
4-(2-chloro-5-fluorophenyl)piperazine-2,6-dione
CID 107531477
1-(2-chloro-5-fluorophenyl)-3,3-diethylpiperazine-2,5-dione
CID 107531646
1-(4-chloro-3-methoxyphenyl)pyrrolidine-2,3-dione
CID 107622002
1-(2-chloro-5-fluorophenyl)-3-cyclopropylpiperazine-2,5-dione
CID 107531619
1-(3,4,5-trifluorophenyl)pyrrolidine-2,3-dione
CID 62809349
1-(2-chloro-4-fluorophenyl)-1,4-diazepane-2,5-dione
CID 64961447
[1-(2-chloro-5-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673991
1-(2-chloro-6-methylphenyl)pyrrolidine-2,3-dione
CID 66251974
1-(2,4-dichlorobenzoyl)-7-fluoro-2,3-dihydroquinolin-4-one
CID 10520959

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).