4-hydroxy-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-pyrrol-2-one

C12H10F3NO2 — CID 172685270

IUPAC4-hydroxy-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-pyrrol-2-one
SMILESO=C1CC(O)=CN1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C12H10F3NO2/c13-12(14,15)10-4-2-1-3-8(10)6-16-7-9(17)5-11(16)18/h1-4,7,17H,5-6H2
InChIKeyAYKCODDUWULRSL-UHFFFAOYSA-N
MW257.21 g/mol
LogP2.84
Rot. Bonds2

About 4-hydroxy-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-pyrrol-2-one

4-hydroxy-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-pyrrol-2-one (PubChem CID 172685270) has the molecular formula C12H10F3NO2 and a molecular weight of 257.21 g/mol. Its IUPAC name is 4-hydroxy-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-pyrrol-2-one.

Molecular Properties

Compound Name4-hydroxy-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-pyrrol-2-one
PubChem CID172685270
Molecular FormulaC12H10F3NO2
Molecular Weight257.21 g/mol
Exact Mass257.07
IUPAC Name4-hydroxy-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-pyrrol-2-one
SMILESO=C1CC(O)=CN1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C12H10F3NO2/c13-12(14,15)10-4-2-1-3-8(10)6-16-7-9(17)5-11(16)18/h1-4,7,17H,5-6H2
InChIKeyAYKCODDUWULRSL-UHFFFAOYSA-N
XLogP2.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-hydroxy-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-pyrrol-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

1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dione
CID 79515562
1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2,4-dione
CID 79517938
1-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-ol
CID 63091103
1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-one
CID 115101791
2-hydroxy-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzamide
CID 166031134
5-sulfanylidene-4-[[2-(trifluoromethyl)phenyl]methyl]-1,2,4-triazolidin-3-one
CID 62881173
3,4-dimethyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,5-dione
CID 71977050
2-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]acetic acid
CID 175838472
4-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbaldehyde
CID 30983366
6-hydroxy-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione
CID 115947931
2-[2-(trifluoromethyl)phenyl]acetyl bromide
CID 141376906
1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene
CID 2773232

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-pyrrol-2-one?
The IUPAC name of 4-hydroxy-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-pyrrol-2-one (CID 172685270) is 4-hydroxy-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-pyrrol-2-one.
What is the SMILES notation for 4-hydroxy-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-pyrrol-2-one?
The canonical SMILES for 4-hydroxy-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-pyrrol-2-one is O=C1CC(O)=CN1Cc1ccccc1C(F)(F)F.
What is the InChIKey of 4-hydroxy-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-pyrrol-2-one?
The InChIKey is AYKCODDUWULRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO2/c13-12(14,15)10-4-2-1-3-8(10)6-16-7-9(17)5-11(16)18/h1-4,7,17H,5-6H2.
What are the key properties of 4-hydroxy-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-pyrrol-2-one?
4-hydroxy-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-pyrrol-2-one has a molecular weight of 257.21 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-pyrrol-2-one is sourced from PubChem (CID 172685270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).