4-chloro-1-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one

C11H10ClF2NO2 — CID 168687823

IUPAC4-chloro-1-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1cc(F)c(N2CC(Cl)CC2=O)c(F)c1
InChIInChI=1S/C11H10ClF2NO2/c1-17-7-3-8(13)11(9(14)4-7)15-5-6(12)2-10(15)16/h3-4,6H,2,5H2,1H3
InChIKeyJRWISIBMLXOUFV-UHFFFAOYSA-N
MW261.65 g/mol
LogP2.32
Rot. Bonds2

About 4-chloro-1-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one

4-chloro-1-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one (PubChem CID 168687823) has the molecular formula C11H10ClF2NO2 and a molecular weight of 261.65 g/mol. Its IUPAC name is 4-chloro-1-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one
PubChem CID168687823
Molecular FormulaC11H10ClF2NO2
Molecular Weight261.65 g/mol
Exact Mass261.04
IUPAC Name4-chloro-1-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1cc(F)c(N2CC(Cl)CC2=O)c(F)c1
InChIInChI=1S/C11H10ClF2NO2/c1-17-7-3-8(13)11(9(14)4-7)15-5-6(12)2-10(15)16/h3-4,6H,2,5H2,1H3
InChIKeyJRWISIBMLXOUFV-UHFFFAOYSA-N
XLogP2.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.65
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-difluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711499
S-[[1-(2,6-difluoro-4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168666848
4-chloro-1-(2-iodo-5-methoxyphenyl)pyrrolidin-2-one
CID 168687804
4-chloro-1-(3,5-dichloro-2,6-difluoro-4-pyridinyl)pyrrolidin-2-one
CID 168688905
4-chloro-1-(4-hydroxy-2,6-dimethylphenyl)pyrrolidin-2-one
CID 168688290
4-chloro-1-(6-methoxyquinolin-8-yl)pyrrolidin-2-one
CID 168687900
4-chloro-1-(5-methoxy-2-nitrophenyl)pyrrolidin-2-one
CID 168687807
4-chloro-1-(2,4-difluorophenyl)pyrrolidin-2-one
CID 168689348
4-chloro-1-(2-chloro-4-fluoro-5-methylphenyl)pyrrolidin-2-one
CID 168687983
methyl 2-[4-(4-chloro-2-oxopyrrolidin-1-yl)-2-fluorophenyl]acetate
CID 168687640
4-chloro-1-(4-chloro-6-methoxypyrimidin-2-yl)pyrrolidin-2-one
CID 168687885
4-chloro-1-[2-(3,5-dimethoxyphenyl)ethyl]pyrrolidin-2-one
CID 168687879

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 4-chloro-1-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one (CID 168687823) is 4-chloro-1-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one is COc1cc(F)c(N2CC(Cl)CC2=O)c(F)c1.
What is the InChIKey of 4-chloro-1-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is JRWISIBMLXOUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF2NO2/c1-17-7-3-8(13)11(9(14)4-7)15-5-6(12)2-10(15)16/h3-4,6H,2,5H2,1H3.
What are the key properties of 4-chloro-1-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one?
4-chloro-1-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 261.65 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 168687823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).