3-hydroxy-1-[4-(trifluoromethylsulfanyl)phenyl]pyrrolidin-2-one

C11H10F3NO2S — CID 140977118

IUPAC3-hydroxy-1-[4-(trifluoromethylsulfanyl)phenyl]pyrrolidin-2-one
SMILESO=C1C(O)CCN1c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C11H10F3NO2S/c12-11(13,14)18-8-3-1-7(2-4-8)15-6-5-9(16)10(15)17/h1-4,9,16H,5-6H2
InChIKeyIDTFWFJPPCQAPW-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.40
Rot. Bonds2

About 3-hydroxy-1-[4-(trifluoromethylsulfanyl)phenyl]pyrrolidin-2-one

3-hydroxy-1-[4-(trifluoromethylsulfanyl)phenyl]pyrrolidin-2-one (PubChem CID 140977118) has the molecular formula C11H10F3NO2S and a molecular weight of 277.27 g/mol. Its IUPAC name is 3-hydroxy-1-[4-(trifluoromethylsulfanyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-hydroxy-1-[4-(trifluoromethylsulfanyl)phenyl]pyrrolidin-2-one
PubChem CID140977118
Molecular FormulaC11H10F3NO2S
Molecular Weight277.27 g/mol
Exact Mass277.04
IUPAC Name3-hydroxy-1-[4-(trifluoromethylsulfanyl)phenyl]pyrrolidin-2-one
SMILESO=C1C(O)CCN1c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C11H10F3NO2S/c12-11(13,14)18-8-3-1-7(2-4-8)15-6-5-9(16)10(15)17/h1-4,9,16H,5-6H2
InChIKeyIDTFWFJPPCQAPW-UHFFFAOYSA-N
XLogP2.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[4-(trifluoromethylsulfanyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 3-hydroxy-1-[4-(trifluoromethylsulfanyl)phenyl]pyrrolidin-2-one (CID 140977118) is 3-hydroxy-1-[4-(trifluoromethylsulfanyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 3-hydroxy-1-[4-(trifluoromethylsulfanyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 3-hydroxy-1-[4-(trifluoromethylsulfanyl)phenyl]pyrrolidin-2-one is O=C1C(O)CCN1c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of 3-hydroxy-1-[4-(trifluoromethylsulfanyl)phenyl]pyrrolidin-2-one?
The InChIKey is IDTFWFJPPCQAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2S/c12-11(13,14)18-8-3-1-7(2-4-8)15-6-5-9(16)10(15)17/h1-4,9,16H,5-6H2.
What are the key properties of 3-hydroxy-1-[4-(trifluoromethylsulfanyl)phenyl]pyrrolidin-2-one?
3-hydroxy-1-[4-(trifluoromethylsulfanyl)phenyl]pyrrolidin-2-one has a molecular weight of 277.27 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[4-(trifluoromethylsulfanyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 140977118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).