2-hydroxy-4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one

C7H8F3NO2 — CID 118342014

IUPAC2-hydroxy-4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one
SMILESCC1=CC(O)N(CC(F)(F)F)C1=O
InChIInChI=1S/C7H8F3NO2/c1-4-2-5(12)11(6(4)13)3-7(8,9)10/h2,5,12H,3H2,1H3
InChIKeyFKKGWELZXHHZEP-UHFFFAOYSA-N
MW195.14 g/mol
LogP0.66
Rot. Bonds1

About 2-hydroxy-4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one

2-hydroxy-4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one (PubChem CID 118342014) has the molecular formula C7H8F3NO2 and a molecular weight of 195.14 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-hydroxy-4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one
PubChem CID118342014
Molecular FormulaC7H8F3NO2
Molecular Weight195.14 g/mol
Exact Mass195.05
IUPAC Name2-hydroxy-4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one
SMILESCC1=CC(O)N(CC(F)(F)F)C1=O
InChIInChI=1S/C7H8F3NO2/c1-4-2-5(12)11(6(4)13)3-7(8,9)10/h2,5,12H,3H2,1H3
InChIKeyFKKGWELZXHHZEP-UHFFFAOYSA-N
XLogP0.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-hydroxy-4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one?
The IUPAC name of 2-hydroxy-4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one (CID 118342014) is 2-hydroxy-4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-hydroxy-4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-hydroxy-4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one is CC1=CC(O)N(CC(F)(F)F)C1=O.
What is the InChIKey of 2-hydroxy-4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one?
The InChIKey is FKKGWELZXHHZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO2/c1-4-2-5(12)11(6(4)13)3-7(8,9)10/h2,5,12H,3H2,1H3.
What are the key properties of 2-hydroxy-4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one?
2-hydroxy-4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one has a molecular weight of 195.14 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 118342014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).