4,4-difluoro-3-hydroxy-1,3-dimethylpyrrolidin-2-one

C6H9F2NO2 — CID 177263046

IUPAC4,4-difluoro-3-hydroxy-1,3-dimethylpyrrolidin-2-one
SMILESCN1CC(F)(F)C(C)(O)C1=O
InChIInChI=1S/C6H9F2NO2/c1-5(11)4(10)9(2)3-6(5,7)8/h11H,3H2,1-2H3
InChIKeyJUUVHONNLHMGLW-UHFFFAOYSA-N
MW165.14 g/mol
LogP-0.16
Rot. Bonds

About 4,4-difluoro-3-hydroxy-1,3-dimethylpyrrolidin-2-one

4,4-difluoro-3-hydroxy-1,3-dimethylpyrrolidin-2-one (PubChem CID 177263046) has the molecular formula C6H9F2NO2 and a molecular weight of 165.14 g/mol. Its IUPAC name is 4,4-difluoro-3-hydroxy-1,3-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name4,4-difluoro-3-hydroxy-1,3-dimethylpyrrolidin-2-one
PubChem CID177263046
Molecular FormulaC6H9F2NO2
Molecular Weight165.14 g/mol
Exact Mass165.06
IUPAC Name4,4-difluoro-3-hydroxy-1,3-dimethylpyrrolidin-2-one
SMILESCN1CC(F)(F)C(C)(O)C1=O
InChIInChI=1S/C6H9F2NO2/c1-5(11)4(10)9(2)3-6(5,7)8/h11H,3H2,1-2H3
InChIKeyJUUVHONNLHMGLW-UHFFFAOYSA-N
XLogP-0.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.14
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Hydroxy-2-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 15541572
1-[3-Hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 72002115
(3R*,4R*)-3,4-dimethyl-1-(4,4,4-trifluorobutanoyl)-3-pyrrolidinol
CID 72933593
(S)-3-hydroxy-1-(2,2,2-trifluoroethyl)-2-pyrrolidinone
CID 100665335
1-[3-Hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one
CID 60342336
2,2,2-Trifluoro-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 88944829
3-Hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 91623568
3-(3,3-Dimethylbut-1-ynyl)-4,4-difluoro-3-hydroxy-1-methylpyrrolidin-2-one
CID 117916099
3-(3,3-Dimethylbut-1-ynyl)-4-fluoro-3-hydroxy-1-methylpyrrolidin-2-one
CID 117916101
4-Fluoro-3-hydroxy-1-methyl-3-prop-1-ynylpyrrolidin-2-one
CID 117919177
4,4-Difluoro-3-hydroxy-1-methyl-3-prop-1-ynylpyrrolidin-2-one
CID 117919181
3-But-1-ynyl-4-fluoro-3-hydroxy-1-methylpyrrolidin-2-one
CID 117937940

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-hydroxy-1,3-dimethylpyrrolidin-2-one?
The IUPAC name of 4,4-difluoro-3-hydroxy-1,3-dimethylpyrrolidin-2-one (CID 177263046) is 4,4-difluoro-3-hydroxy-1,3-dimethylpyrrolidin-2-one.
What is the SMILES notation for 4,4-difluoro-3-hydroxy-1,3-dimethylpyrrolidin-2-one?
The canonical SMILES for 4,4-difluoro-3-hydroxy-1,3-dimethylpyrrolidin-2-one is CN1CC(F)(F)C(C)(O)C1=O.
What is the InChIKey of 4,4-difluoro-3-hydroxy-1,3-dimethylpyrrolidin-2-one?
The InChIKey is JUUVHONNLHMGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO2/c1-5(11)4(10)9(2)3-6(5,7)8/h11H,3H2,1-2H3.
What are the key properties of 4,4-difluoro-3-hydroxy-1,3-dimethylpyrrolidin-2-one?
4,4-difluoro-3-hydroxy-1,3-dimethylpyrrolidin-2-one has a molecular weight of 165.14 g/mol, XLogP of -0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-hydroxy-1,3-dimethylpyrrolidin-2-one is sourced from PubChem (CID 177263046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).