2-hydroxy-3,4-dimethyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one

C8H10F3NO2 — CID 118342156

IUPAC2-hydroxy-3,4-dimethyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one
SMILESCC1=C(C)C(O)N(CC(F)(F)F)C1=O
InChIInChI=1S/C8H10F3NO2/c1-4-5(2)7(14)12(6(4)13)3-8(9,10)11/h6,13H,3H2,1-2H3
InChIKeyVBZXKOIVWLOXNP-UHFFFAOYSA-N
MW209.17 g/mol
LogP1.05
Rot. Bonds1

About 2-hydroxy-3,4-dimethyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one

2-hydroxy-3,4-dimethyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one (PubChem CID 118342156) has the molecular formula C8H10F3NO2 and a molecular weight of 209.17 g/mol. Its IUPAC name is 2-hydroxy-3,4-dimethyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-hydroxy-3,4-dimethyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one
PubChem CID118342156
Molecular FormulaC8H10F3NO2
Molecular Weight209.17 g/mol
Exact Mass209.07
IUPAC Name2-hydroxy-3,4-dimethyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one
SMILESCC1=C(C)C(O)N(CC(F)(F)F)C1=O
InChIInChI=1S/C8H10F3NO2/c1-4-5(2)7(14)12(6(4)13)3-8(9,10)11/h6,13H,3H2,1-2H3
InChIKeyVBZXKOIVWLOXNP-UHFFFAOYSA-N
XLogP1.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,4-dimethyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one?
The IUPAC name of 2-hydroxy-3,4-dimethyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one (CID 118342156) is 2-hydroxy-3,4-dimethyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-hydroxy-3,4-dimethyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-hydroxy-3,4-dimethyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one is CC1=C(C)C(O)N(CC(F)(F)F)C1=O.
What is the InChIKey of 2-hydroxy-3,4-dimethyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one?
The InChIKey is VBZXKOIVWLOXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO2/c1-4-5(2)7(14)12(6(4)13)3-8(9,10)11/h6,13H,3H2,1-2H3.
What are the key properties of 2-hydroxy-3,4-dimethyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one?
2-hydroxy-3,4-dimethyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one has a molecular weight of 209.17 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,4-dimethyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 118342156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).