1-(5-fluoro-2-iodophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one

C11H11FINOS — CID 168671432

IUPAC1-(5-fluoro-2-iodophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
SMILESO=C1CC(CS)CN1c1cc(F)ccc1I
InChIInChI=1S/C11H11FINOS/c12-8-1-2-9(13)10(4-8)14-5-7(6-16)3-11(14)15/h1-2,4,7,16H,3,5-6H2
InChIKeyWXRHNDITMSUXFN-UHFFFAOYSA-N
MW351.18 g/mol
LogP2.71
Rot. Bonds2

About 1-(5-fluoro-2-iodophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one

1-(5-fluoro-2-iodophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one (PubChem CID 168671432) has the molecular formula C11H11FINOS and a molecular weight of 351.18 g/mol. Its IUPAC name is 1-(5-fluoro-2-iodophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-fluoro-2-iodophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
PubChem CID168671432
Molecular FormulaC11H11FINOS
Molecular Weight351.18 g/mol
Exact Mass350.96
IUPAC Name1-(5-fluoro-2-iodophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
SMILESO=C1CC(CS)CN1c1cc(F)ccc1I
InChIInChI=1S/C11H11FINOS/c12-8-1-2-9(13)10(4-8)14-5-7(6-16)3-11(14)15/h1-2,4,7,16H,3,5-6H2
InChIKeyWXRHNDITMSUXFN-UHFFFAOYSA-N
XLogP2.71
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.18
LogP ≤ 52.71
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

1-(2-amino-3,5-difluorophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168672056
1-(2,4-dichloro-5-fluorophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671264
1-(4-fluoro-2-iodophenyl)-4-sulfanylpyrrolidin-2-one
CID 168710105
1-(3-iodo-4-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671787
1-(3,5-difluoro-2-methoxyphenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670121
4-(sulfanylmethyl)-1-(2,4,6-trifluorophenyl)pyrrolidin-2-one
CID 168671314
1-(4-bromo-2,5-difluorophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671293
1-[2-fluoro-4-(trifluoromethyl)phenyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671674
5-iodo-2-[2-oxo-4-(sulfanylmethyl)pyrrolidin-1-yl]benzoic acid
CID 168671710
4-(azidomethyl)-1-(4-fluoro-2-iodophenyl)pyrrolidin-2-one
CID 168657948
1-(3-fluoro-4-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671786
4-(chloromethyl)-1-(2-iodo-5-methylphenyl)pyrrolidin-2-one
CID 168507760

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-iodophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one?
The IUPAC name of 1-(5-fluoro-2-iodophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one (CID 168671432) is 1-(5-fluoro-2-iodophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(5-fluoro-2-iodophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(5-fluoro-2-iodophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one is O=C1CC(CS)CN1c1cc(F)ccc1I.
What is the InChIKey of 1-(5-fluoro-2-iodophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one?
The InChIKey is WXRHNDITMSUXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FINOS/c12-8-1-2-9(13)10(4-8)14-5-7(6-16)3-11(14)15/h1-2,4,7,16H,3,5-6H2.
What are the key properties of 1-(5-fluoro-2-iodophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one?
1-(5-fluoro-2-iodophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one has a molecular weight of 351.18 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-iodophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 168671432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).