1-(4-fluoro-2-iodophenyl)pyrrolidine-2,3-dione

C10H7FINO2 — CID 79766126

IUPAC1-(4-fluoro-2-iodophenyl)pyrrolidine-2,3-dione
SMILESO=C1CCN(c2ccc(F)cc2I)C1=O
InChIInChI=1S/C10H7FINO2/c11-6-1-2-8(7(12)5-6)13-4-3-9(14)10(13)15/h1-2,5H,3-4H2
InChIKeyKTFRXKRQOMRPOC-UHFFFAOYSA-N
MW319.07 g/mol
LogP1.74
Rot. Bonds1

About 1-(4-fluoro-2-iodophenyl)pyrrolidine-2,3-dione

1-(4-fluoro-2-iodophenyl)pyrrolidine-2,3-dione (PubChem CID 79766126) has the molecular formula C10H7FINO2 and a molecular weight of 319.07 g/mol. Its IUPAC name is 1-(4-fluoro-2-iodophenyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name1-(4-fluoro-2-iodophenyl)pyrrolidine-2,3-dione
PubChem CID79766126
Molecular FormulaC10H7FINO2
Molecular Weight319.07 g/mol
Exact Mass318.95
IUPAC Name1-(4-fluoro-2-iodophenyl)pyrrolidine-2,3-dione
SMILESO=C1CCN(c2ccc(F)cc2I)C1=O
InChIInChI=1S/C10H7FINO2/c11-6-1-2-8(7(12)5-6)13-4-3-9(14)10(13)15/h1-2,5H,3-4H2
InChIKeyKTFRXKRQOMRPOC-UHFFFAOYSA-N
XLogP1.74
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.07
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-5-fluorophenyl)pyrrolidine-2,3-dione
CID 107528742
1-(4-fluoro-2-iodophenyl)azepan-2-one
CID 79765997
2-(4-fluoro-2-iodophenyl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione
CID 79918367
1-(4-fluoro-2-iodophenyl)-3,4-dimethylpyrrole-2,5-dione
CID 79766324
1-(4-fluoro-2-iodophenyl)-4-sulfanylpyrrolidin-2-one
CID 168710105
1-(4-fluoro-2-iodophenyl)-5-methyl-1,3-diazinane-2,4-dione
CID 79776948
1-(4-fluoro-2-iodophenyl)piperazine
CID 79766904
1-(3,4,5-trifluorophenyl)pyrrolidine-2,3-dione
CID 62809349
9-(4-fluoro-2-iodophenyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 79772565
1-(2-chloro-4-fluorophenyl)-1,4-diazepane-2,5-dione
CID 64961447
1-(4-bromo-2-ethylphenyl)pyrrolidine-2,3-dione
CID 81289584
4-(azidomethyl)-1-(4-fluoro-2-iodophenyl)pyrrolidin-2-one
CID 168657948

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-iodophenyl)pyrrolidine-2,3-dione?
The IUPAC name of 1-(4-fluoro-2-iodophenyl)pyrrolidine-2,3-dione (CID 79766126) is 1-(4-fluoro-2-iodophenyl)pyrrolidine-2,3-dione.
What is the SMILES notation for 1-(4-fluoro-2-iodophenyl)pyrrolidine-2,3-dione?
The canonical SMILES for 1-(4-fluoro-2-iodophenyl)pyrrolidine-2,3-dione is O=C1CCN(c2ccc(F)cc2I)C1=O.
What is the InChIKey of 1-(4-fluoro-2-iodophenyl)pyrrolidine-2,3-dione?
The InChIKey is KTFRXKRQOMRPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FINO2/c11-6-1-2-8(7(12)5-6)13-4-3-9(14)10(13)15/h1-2,5H,3-4H2.
What are the key properties of 1-(4-fluoro-2-iodophenyl)pyrrolidine-2,3-dione?
1-(4-fluoro-2-iodophenyl)pyrrolidine-2,3-dione has a molecular weight of 319.07 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-iodophenyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 79766126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).