4-chloro-1-[3-chloro-2-(trifluoromethyl)phenyl]pyrrolidin-2-one

C11H8Cl2F3NO — CID 168689796

IUPAC4-chloro-1-[3-chloro-2-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESO=C1CC(Cl)CN1c1cccc(Cl)c1C(F)(F)F
InChIInChI=1S/C11H8Cl2F3NO/c12-6-4-9(18)17(5-6)8-3-1-2-7(13)10(8)11(14,15)16/h1-3,6H,4-5H2
InChIKeyQMAGWYSZFHASKD-UHFFFAOYSA-N
MW298.09 g/mol
LogP3.70
Rot. Bonds1

About 4-chloro-1-[3-chloro-2-(trifluoromethyl)phenyl]pyrrolidin-2-one

4-chloro-1-[3-chloro-2-(trifluoromethyl)phenyl]pyrrolidin-2-one (PubChem CID 168689796) has the molecular formula C11H8Cl2F3NO and a molecular weight of 298.09 g/mol. Its IUPAC name is 4-chloro-1-[3-chloro-2-(trifluoromethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-[3-chloro-2-(trifluoromethyl)phenyl]pyrrolidin-2-one
PubChem CID168689796
Molecular FormulaC11H8Cl2F3NO
Molecular Weight298.09 g/mol
Exact Mass296.99
IUPAC Name4-chloro-1-[3-chloro-2-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESO=C1CC(Cl)CN1c1cccc(Cl)c1C(F)(F)F
InChIInChI=1S/C11H8Cl2F3NO/c12-6-4-9(18)17(5-6)8-3-1-2-7(13)10(8)11(14,15)16/h1-3,6H,4-5H2
InChIKeyQMAGWYSZFHASKD-UHFFFAOYSA-N
XLogP3.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.09
LogP ≤ 53.70
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-[3-chloro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716062
4-chloro-1-[2-chloro-6-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168688878
4-chloro-1-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidin-2-one
CID 168689411
1-(2-bromo-3-fluorophenyl)-4-chloropyrrolidin-2-one
CID 168689808
1-[3-fluoro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168698399
4-chloro-1-(2-ethylphenyl)pyrrolidin-2-one
CID 168687542
4-chloro-1-(2-fluoro-3-pyridinyl)pyrrolidin-2-one
CID 168689859
4-chloro-1-(2-iodo-3-methylphenyl)pyrrolidin-2-one
CID 168688338
3-chloro-2-(4-chloro-2-oxopyrrolidin-1-yl)benzoic acid
CID 168688895
1-(2-amino-4,5-dichlorophenyl)-4-chloropyrrolidin-2-one
CID 168688969
4-chloro-1-(3,5-dichloro-2,4-difluorophenyl)pyrrolidin-2-one
CID 168689041
4-chloro-1-(2-methylsulfanylphenyl)pyrrolidin-2-one
CID 168687946

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[3-chloro-2-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-chloro-1-[3-chloro-2-(trifluoromethyl)phenyl]pyrrolidin-2-one (CID 168689796) is 4-chloro-1-[3-chloro-2-(trifluoromethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-[3-chloro-2-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-[3-chloro-2-(trifluoromethyl)phenyl]pyrrolidin-2-one is O=C1CC(Cl)CN1c1cccc(Cl)c1C(F)(F)F.
What is the InChIKey of 4-chloro-1-[3-chloro-2-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The InChIKey is QMAGWYSZFHASKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2F3NO/c12-6-4-9(18)17(5-6)8-3-1-2-7(13)10(8)11(14,15)16/h1-3,6H,4-5H2.
What are the key properties of 4-chloro-1-[3-chloro-2-(trifluoromethyl)phenyl]pyrrolidin-2-one?
4-chloro-1-[3-chloro-2-(trifluoromethyl)phenyl]pyrrolidin-2-one has a molecular weight of 298.09 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[3-chloro-2-(trifluoromethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 168689796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).