1-[2-chloro-6-(trifluoromethyl)phenyl]pyrrolidin-2-one

C11H9ClF3NO — CID 166609152

IUPAC1-[2-chloro-6-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C11H9ClF3NO/c12-8-4-1-3-7(11(13,14)15)10(8)16-6-2-5-9(16)17/h1,3-4H,2,5-6H2
InChIKeyCKMDDQAUKXHVRL-UHFFFAOYSA-N
MW263.65 g/mol
LogP3.49
Rot. Bonds1

About 1-[2-chloro-6-(trifluoromethyl)phenyl]pyrrolidin-2-one

1-[2-chloro-6-(trifluoromethyl)phenyl]pyrrolidin-2-one (PubChem CID 166609152) has the molecular formula C11H9ClF3NO and a molecular weight of 263.65 g/mol. Its IUPAC name is 1-[2-chloro-6-(trifluoromethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-chloro-6-(trifluoromethyl)phenyl]pyrrolidin-2-one
PubChem CID166609152
Molecular FormulaC11H9ClF3NO
Molecular Weight263.65 g/mol
Exact Mass263.03
IUPAC Name1-[2-chloro-6-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C11H9ClF3NO/c12-8-4-1-3-7(11(13,14)15)10(8)16-6-2-5-9(16)17/h1,3-4H,2,5-6H2
InChIKeyCKMDDQAUKXHVRL-UHFFFAOYSA-N
XLogP3.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.65
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-1-[2-chloro-6-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168688878
1-[3-[2-chloro-6-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 91806273
1-[2-chloro-6-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168697516
1-[2-[2,5-dideuterio-4-[2-(2-oxopyrrolidin-1-yl)phenyl]-3,6-bis[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyrrolidin-2-one
CID 176589252
1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one
CID 166608825
8-[2-chloro-6-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-one
CID 62739434
1-(2,6-dichlorophenyl)piperidine-2,6-dione
CID 10879750
1-[2-chloro-6-(trifluoromethyl)phenyl]sulfonylpyrrolidine
CID 71874703
1-(2-amino-6-fluorophenyl)azepan-2-one
CID 81310287
1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 70195701
1-(2-fluoro-6-methoxyphenyl)pyrrolidin-2-one
CID 166609101
1-[4-(trifluoromethyl)phenyl]azepan-2-one
CID 154102957

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-chloro-6-(trifluoromethyl)phenyl]pyrrolidin-2-one (CID 166609152) is 1-[2-chloro-6-(trifluoromethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-chloro-6-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-chloro-6-(trifluoromethyl)phenyl]pyrrolidin-2-one is O=C1CCCN1c1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of 1-[2-chloro-6-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The InChIKey is CKMDDQAUKXHVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3NO/c12-8-4-1-3-7(11(13,14)15)10(8)16-6-2-5-9(16)17/h1,3-4H,2,5-6H2.
What are the key properties of 1-[2-chloro-6-(trifluoromethyl)phenyl]pyrrolidin-2-one?
1-[2-chloro-6-(trifluoromethyl)phenyl]pyrrolidin-2-one has a molecular weight of 263.65 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(trifluoromethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 166609152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).