1-(4-fluoro-2-iodophenyl)-4-sulfanylpyrrolidin-2-one

C10H9FINOS — CID 168710105

IUPAC1-(4-fluoro-2-iodophenyl)-4-sulfanylpyrrolidin-2-one
SMILESO=C1CC(S)CN1c1ccc(F)cc1I
InChIInChI=1S/C10H9FINOS/c11-6-1-2-9(8(12)3-6)13-5-7(15)4-10(13)14/h1-3,7,15H,4-5H2
InChIKeyTVZGXHZEHRUEEK-UHFFFAOYSA-N
MW337.16 g/mol
LogP2.47
Rot. Bonds1

About 1-(4-fluoro-2-iodophenyl)-4-sulfanylpyrrolidin-2-one

1-(4-fluoro-2-iodophenyl)-4-sulfanylpyrrolidin-2-one (PubChem CID 168710105) has the molecular formula C10H9FINOS and a molecular weight of 337.16 g/mol. Its IUPAC name is 1-(4-fluoro-2-iodophenyl)-4-sulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-fluoro-2-iodophenyl)-4-sulfanylpyrrolidin-2-one
PubChem CID168710105
Molecular FormulaC10H9FINOS
Molecular Weight337.16 g/mol
Exact Mass336.94
IUPAC Name1-(4-fluoro-2-iodophenyl)-4-sulfanylpyrrolidin-2-one
SMILESO=C1CC(S)CN1c1ccc(F)cc1I
InChIInChI=1S/C10H9FINOS/c11-6-1-2-9(8(12)3-6)13-5-7(15)4-10(13)14/h1-3,7,15H,4-5H2
InChIKeyTVZGXHZEHRUEEK-UHFFFAOYSA-N
XLogP2.47
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-(azidomethyl)-1-(4-fluoro-2-iodophenyl)pyrrolidin-2-one
CID 168657948
1-(5-fluoro-3-iodo-2-pyridinyl)-4-sulfanylpyrrolidin-2-one
CID 168710266
1-(5-fluoro-2-iodophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671432
1-(2-chloro-4,5-difluorophenyl)-4-sulfanylpyrrolidin-2-one
CID 168709794
1-(4-bromo-2,3-difluorophenyl)-4-sulfanylpyrrolidin-2-one
CID 168710062
1-(4-fluoro-2-iodophenyl)-5-methyl-1,3-diazinane-2,4-dione
CID 79776948
1-(2-amino-3-bromo-5-fluorophenyl)-4-sulfanylpyrrolidin-2-one
CID 168710452
1-(4-fluoro-2-iodophenyl)azepan-2-one
CID 79765997
1-(4-fluoro-2-iodophenyl)pyrrolidine-2,3-dione
CID 79766126
4-iodo-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzoic acid
CID 168709837
1-(2-bromo-4-methylphenyl)-4-sulfanylpyrrolidin-2-one
CID 168708828
methyl 3-fluoro-4-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzoate
CID 168708423

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-iodophenyl)-4-sulfanylpyrrolidin-2-one?
The IUPAC name of 1-(4-fluoro-2-iodophenyl)-4-sulfanylpyrrolidin-2-one (CID 168710105) is 1-(4-fluoro-2-iodophenyl)-4-sulfanylpyrrolidin-2-one.
What is the SMILES notation for 1-(4-fluoro-2-iodophenyl)-4-sulfanylpyrrolidin-2-one?
The canonical SMILES for 1-(4-fluoro-2-iodophenyl)-4-sulfanylpyrrolidin-2-one is O=C1CC(S)CN1c1ccc(F)cc1I.
What is the InChIKey of 1-(4-fluoro-2-iodophenyl)-4-sulfanylpyrrolidin-2-one?
The InChIKey is TVZGXHZEHRUEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FINOS/c11-6-1-2-9(8(12)3-6)13-5-7(15)4-10(13)14/h1-3,7,15H,4-5H2.
What are the key properties of 1-(4-fluoro-2-iodophenyl)-4-sulfanylpyrrolidin-2-one?
1-(4-fluoro-2-iodophenyl)-4-sulfanylpyrrolidin-2-one has a molecular weight of 337.16 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-iodophenyl)-4-sulfanylpyrrolidin-2-one is sourced from PubChem (CID 168710105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).