1-(3-chloro-2,4-difluorophenyl)-4-hydroxypyrrolidin-2-one

C10H8ClF2NO2 — CID 168703206

IUPAC1-(3-chloro-2,4-difluorophenyl)-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1c1ccc(F)c(Cl)c1F
InChIInChI=1S/C10H8ClF2NO2/c11-9-6(12)1-2-7(10(9)13)14-4-5(15)3-8(14)16/h1-2,5,15H,3-4H2
InChIKeyQWYPZPUCCNATCY-UHFFFAOYSA-N
MW247.63 g/mol
LogP1.72
Rot. Bonds1

About 1-(3-chloro-2,4-difluorophenyl)-4-hydroxypyrrolidin-2-one

1-(3-chloro-2,4-difluorophenyl)-4-hydroxypyrrolidin-2-one (PubChem CID 168703206) has the molecular formula C10H8ClF2NO2 and a molecular weight of 247.63 g/mol. Its IUPAC name is 1-(3-chloro-2,4-difluorophenyl)-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-chloro-2,4-difluorophenyl)-4-hydroxypyrrolidin-2-one
PubChem CID168703206
Molecular FormulaC10H8ClF2NO2
Molecular Weight247.63 g/mol
Exact Mass247.02
IUPAC Name1-(3-chloro-2,4-difluorophenyl)-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1c1ccc(F)c(Cl)c1F
InChIInChI=1S/C10H8ClF2NO2/c11-9-6(12)1-2-7(10(9)13)14-4-5(15)3-8(14)16/h1-2,5,15H,3-4H2
InChIKeyQWYPZPUCCNATCY-UHFFFAOYSA-N
XLogP1.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.63
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691584
1-(5-chloro-2-iodophenyl)-4-hydroxypyrrolidin-2-one
CID 168703303
5-chloro-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile
CID 168703507
1-(3,4-dichloro-2-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663351
1-(3,6-dichloropyridazin-4-yl)-4-hydroxypyrrolidin-2-one
CID 168703833
1-(3-chloro-2-hydroxyphenyl)-4-hydroxypyrrolidin-2-one
CID 168703922
1-(3,4-dichloro-2-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715214
1-(2-chloro-4,6-difluorophenyl)-4-hydroxypyrrolidin-2-one
CID 83087452
1-(2-fluoro-3-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703969
1-(4-bromo-3-chloro-2-fluorophenyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505656
2-amino-6-chloro-3-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile
CID 168703514
1-(6-chloro-3-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703439

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2,4-difluorophenyl)-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-(3-chloro-2,4-difluorophenyl)-4-hydroxypyrrolidin-2-one (CID 168703206) is 1-(3-chloro-2,4-difluorophenyl)-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-(3-chloro-2,4-difluorophenyl)-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-(3-chloro-2,4-difluorophenyl)-4-hydroxypyrrolidin-2-one is O=C1CC(O)CN1c1ccc(F)c(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2,4-difluorophenyl)-4-hydroxypyrrolidin-2-one?
The InChIKey is QWYPZPUCCNATCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF2NO2/c11-9-6(12)1-2-7(10(9)13)14-4-5(15)3-8(14)16/h1-2,5,15H,3-4H2.
What are the key properties of 1-(3-chloro-2,4-difluorophenyl)-4-hydroxypyrrolidin-2-one?
1-(3-chloro-2,4-difluorophenyl)-4-hydroxypyrrolidin-2-one has a molecular weight of 247.63 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2,4-difluorophenyl)-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 168703206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).