1-(2,6-difluoro-4-iodophenyl)-4-hydroxypyrrolidin-2-one

C10H8F2INO2 — CID 168703213

IUPAC1-(2,6-difluoro-4-iodophenyl)-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1c1c(F)cc(I)cc1F
InChIInChI=1S/C10H8F2INO2/c11-7-1-5(13)2-8(12)10(7)14-4-6(15)3-9(14)16/h1-2,6,15H,3-4H2
InChIKeyQDCZJUANSSFREB-UHFFFAOYSA-N
MW339.08 g/mol
LogP1.67
Rot. Bonds1

About 1-(2,6-difluoro-4-iodophenyl)-4-hydroxypyrrolidin-2-one

1-(2,6-difluoro-4-iodophenyl)-4-hydroxypyrrolidin-2-one (PubChem CID 168703213) has the molecular formula C10H8F2INO2 and a molecular weight of 339.08 g/mol. Its IUPAC name is 1-(2,6-difluoro-4-iodophenyl)-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,6-difluoro-4-iodophenyl)-4-hydroxypyrrolidin-2-one
PubChem CID168703213
Molecular FormulaC10H8F2INO2
Molecular Weight339.08 g/mol
Exact Mass338.96
IUPAC Name1-(2,6-difluoro-4-iodophenyl)-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1c1c(F)cc(I)cc1F
InChIInChI=1S/C10H8F2INO2/c11-7-1-5(13)2-8(12)10(7)14-4-6(15)3-9(14)16/h1-2,6,15H,3-4H2
InChIKeyQDCZJUANSSFREB-UHFFFAOYSA-N
XLogP1.67
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.08
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2,6-difluoro-4-iodophenyl)-4-hydroxypyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(aminomethyl)-1-(2,6-difluoro-4-iodophenyl)pyrrolidin-2-one
CID 168660507
1-(2-chloro-4,6-difluorophenyl)-4-hydroxypyrrolidin-2-one
CID 83087452
1-(4-bromo-3,5-difluorophenyl)-4-hydroxypyrrolidin-2-one
CID 168703474
1-(2-fluoro-6-methoxyphenyl)-4-hydroxypyrrolidin-2-one
CID 168702370
1-(5-chloro-2-iodophenyl)-4-hydroxypyrrolidin-2-one
CID 168703303
1-(2-bromo-4-iodophenyl)-4-hydroxypyrrolidin-2-one
CID 168703521
2,4-difluoro-5-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
CID 168703274
2-fluoro-4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile
CID 168703363
1-[4-(dimethylamino)-3-fluorophenyl]-4-hydroxypyrrolidin-2-one
CID 168702104
1-(5-bromo-3-fluoro-2-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703201
1-(4-chloro-2,6-difluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663357
1-(3-chloro-2,4-difluorophenyl)-4-hydroxypyrrolidin-2-one
CID 168703206

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-4-iodophenyl)-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-(2,6-difluoro-4-iodophenyl)-4-hydroxypyrrolidin-2-one (CID 168703213) is 1-(2,6-difluoro-4-iodophenyl)-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-(2,6-difluoro-4-iodophenyl)-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-(2,6-difluoro-4-iodophenyl)-4-hydroxypyrrolidin-2-one is O=C1CC(O)CN1c1c(F)cc(I)cc1F.
What is the InChIKey of 1-(2,6-difluoro-4-iodophenyl)-4-hydroxypyrrolidin-2-one?
The InChIKey is QDCZJUANSSFREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2INO2/c11-7-1-5(13)2-8(12)10(7)14-4-6(15)3-9(14)16/h1-2,6,15H,3-4H2.
What are the key properties of 1-(2,6-difluoro-4-iodophenyl)-4-hydroxypyrrolidin-2-one?
1-(2,6-difluoro-4-iodophenyl)-4-hydroxypyrrolidin-2-one has a molecular weight of 339.08 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-4-iodophenyl)-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 168703213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).