4-chloro-1-(2,4-difluorophenyl)pyrrolidin-2-one

C10H8ClF2NO — CID 168689348

IUPAC4-chloro-1-(2,4-difluorophenyl)pyrrolidin-2-one
SMILESO=C1CC(Cl)CN1c1ccc(F)cc1F
InChIInChI=1S/C10H8ClF2NO/c11-6-3-10(15)14(5-6)9-2-1-7(12)4-8(9)13/h1-2,4,6H,3,5H2
InChIKeyOIMNBIBVGQUQRB-UHFFFAOYSA-N
MW231.63 g/mol
LogP2.31
Rot. Bonds1

About 4-chloro-1-(2,4-difluorophenyl)pyrrolidin-2-one

4-chloro-1-(2,4-difluorophenyl)pyrrolidin-2-one (PubChem CID 168689348) has the molecular formula C10H8ClF2NO and a molecular weight of 231.63 g/mol. Its IUPAC name is 4-chloro-1-(2,4-difluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-(2,4-difluorophenyl)pyrrolidin-2-one
PubChem CID168689348
Molecular FormulaC10H8ClF2NO
Molecular Weight231.63 g/mol
Exact Mass231.03
IUPAC Name4-chloro-1-(2,4-difluorophenyl)pyrrolidin-2-one
SMILESO=C1CC(Cl)CN1c1ccc(F)cc1F
InChIInChI=1S/C10H8ClF2NO/c11-6-3-10(15)14(5-6)9-2-1-7(12)4-8(9)13/h1-2,4,6H,3,5H2
InChIKeyOIMNBIBVGQUQRB-UHFFFAOYSA-N
XLogP2.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.63
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-4-methylphenyl)-4-chloropyrrolidin-2-one
CID 168688085
ethyl 1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 50874002
N-(2-aminoethyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 119383551
1-(2-bromo-3-fluorophenyl)-4-chloropyrrolidin-2-one
CID 168689808
1-(2,4-difluorophenyl)-4-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 55622618
4-chloro-1-(2,4-dimethylphenyl)pyrrolidin-2-one
CID 168688073
1-(2-amino-4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691859
4-chloro-1-(2-chloro-4-fluoro-5-methylphenyl)pyrrolidin-2-one
CID 168687983
(3S)-1-(4-bromo-2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 94075852
N-(3-chlorophenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55616772
4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one;hydrochloride
CID 120656440
(2S)-2-[[(3R)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 124693037

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2,4-difluorophenyl)pyrrolidin-2-one?
The IUPAC name of 4-chloro-1-(2,4-difluorophenyl)pyrrolidin-2-one (CID 168689348) is 4-chloro-1-(2,4-difluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-(2,4-difluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-(2,4-difluorophenyl)pyrrolidin-2-one is O=C1CC(Cl)CN1c1ccc(F)cc1F.
What is the InChIKey of 4-chloro-1-(2,4-difluorophenyl)pyrrolidin-2-one?
The InChIKey is OIMNBIBVGQUQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF2NO/c11-6-3-10(15)14(5-6)9-2-1-7(12)4-8(9)13/h1-2,4,6H,3,5H2.
What are the key properties of 4-chloro-1-(2,4-difluorophenyl)pyrrolidin-2-one?
4-chloro-1-(2,4-difluorophenyl)pyrrolidin-2-one has a molecular weight of 231.63 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2,4-difluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 168689348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).