4-chloro-1-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidin-2-one

C12H11ClF3NO2 — CID 168689411

IUPAC4-chloro-1-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidin-2-one
SMILESO=C1CC(Cl)CN1c1ccccc1OCC(F)(F)F
InChIInChI=1S/C12H11ClF3NO2/c13-8-5-11(18)17(6-8)9-3-1-2-4-10(9)19-7-12(14,15)16/h1-4,8H,5-7H2
InChIKeyFAVUPOIIEQXEDA-UHFFFAOYSA-N
MW293.67 g/mol
LogP2.97
Rot. Bonds3

About 4-chloro-1-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidin-2-one

4-chloro-1-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidin-2-one (PubChem CID 168689411) has the molecular formula C12H11ClF3NO2 and a molecular weight of 293.67 g/mol. Its IUPAC name is 4-chloro-1-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidin-2-one
PubChem CID168689411
Molecular FormulaC12H11ClF3NO2
Molecular Weight293.67 g/mol
Exact Mass293.04
IUPAC Name4-chloro-1-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidin-2-one
SMILESO=C1CC(Cl)CN1c1ccccc1OCC(F)(F)F
InChIInChI=1S/C12H11ClF3NO2/c13-8-5-11(18)17(6-8)9-3-1-2-4-10(9)19-7-12(14,15)16/h1-4,8H,5-7H2
InChIKeyFAVUPOIIEQXEDA-UHFFFAOYSA-N
XLogP2.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.67
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-chloro-1-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidin-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-ethynyl-1-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidin-2-one
CID 168502443
5-oxo-1-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-3-sulfonamide
CID 168719005
4-chloro-1-[3-chloro-2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168689796
4-chloro-1-(2-ethylphenyl)pyrrolidin-2-one
CID 168687542
1-(2-fluorophenyl)-5-oxo-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-3-carboxamide
CID 55507733
1-(2-ethoxyphenyl)-4-methylpyrrolidin-2-one
CID 129259594
4-chloro-1-(2-fluoro-3-pyridinyl)pyrrolidin-2-one
CID 168689859
4-chloro-1-(2-methylsulfanylphenyl)pyrrolidin-2-one
CID 168687946
4-chloro-1-quinolin-8-ylpyrrolidin-2-one
CID 168689599
5-oxo-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-sulfonyl chloride
CID 168712596
1-(2-bromo-3-fluorophenyl)-4-chloropyrrolidin-2-one
CID 168689808
4-chloro-1-(2-dimethylphosphorylphenyl)pyrrolidin-2-one
CID 168687930

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-chloro-1-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidin-2-one (CID 168689411) is 4-chloro-1-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidin-2-one is O=C1CC(Cl)CN1c1ccccc1OCC(F)(F)F.
What is the InChIKey of 4-chloro-1-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidin-2-one?
The InChIKey is FAVUPOIIEQXEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF3NO2/c13-8-5-11(18)17(6-8)9-3-1-2-4-10(9)19-7-12(14,15)16/h1-4,8H,5-7H2.
What are the key properties of 4-chloro-1-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidin-2-one?
4-chloro-1-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidin-2-one has a molecular weight of 293.67 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 168689411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).