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

C5H7F2NO2 — CID 170573482

IUPAC4,4-difluoro-3-hydroxy-1-methylpyrrolidin-2-one
SMILESCN1CC(F)(F)C(O)C1=O
InChIInChI=1S/C5H7F2NO2/c1-8-2-5(6,7)3(9)4(8)10/h3,9H,2H2,1H3
InChIKeyVLKNRKOSBLXZQO-UHFFFAOYSA-N
MW151.11 g/mol
LogP-0.55
Rot. Bonds

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

4,4-difluoro-3-hydroxy-1-methylpyrrolidin-2-one (PubChem CID 170573482) has the molecular formula C5H7F2NO2 and a molecular weight of 151.11 g/mol. Its IUPAC name is 4,4-difluoro-3-hydroxy-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4,4-difluoro-3-hydroxy-1-methylpyrrolidin-2-one
PubChem CID170573482
Molecular FormulaC5H7F2NO2
Molecular Weight151.11 g/mol
Exact Mass151.04
IUPAC Name4,4-difluoro-3-hydroxy-1-methylpyrrolidin-2-one
SMILESCN1CC(F)(F)C(O)C1=O
InChIInChI=1S/C5H7F2NO2/c1-8-2-5(6,7)3(9)4(8)10/h3,9H,2H2,1H3
InChIKeyVLKNRKOSBLXZQO-UHFFFAOYSA-N
XLogP-0.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.11
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Hydroxy-1-methylpyrrolidin-2-one
CID 10313118
(3R)-3-hydroxy-1-methyl-pyrrolidin-2-one
CID 69033113
1-Ethyl-3-hydroxypyrrolidin-2-one
CID 22726194
(S)-3-hydroxy-1-(2,2,2-trifluoroethyl)-2-pyrrolidinone
CID 100665335
3,3,3-Trifluoro-2-hydroxy-1-(pyrrolidin-1-YL)propan-1-one
CID 14436604
2,2,2-trifluoro-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 59800205
2,2,2-Trifluoro-1-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62916597
(2S)-3,3,3-trifluoro-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one
CID 67704779
1-[(4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]propan-1-one
CID 68086233
1-(3-Fluoro-4-hydroxypyrrolidin-1-yl)propan-1-one
CID 77405134
3-Hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 91623568
1-[(4R)-3,3-difluoro-4-methoxypyrrolidin-1-yl]-2-hydroxyethanone
CID 121246744

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-hydroxy-1-methylpyrrolidin-2-one?
The IUPAC name of 4,4-difluoro-3-hydroxy-1-methylpyrrolidin-2-one (CID 170573482) is 4,4-difluoro-3-hydroxy-1-methylpyrrolidin-2-one.
What is the SMILES notation for 4,4-difluoro-3-hydroxy-1-methylpyrrolidin-2-one?
The canonical SMILES for 4,4-difluoro-3-hydroxy-1-methylpyrrolidin-2-one is CN1CC(F)(F)C(O)C1=O.
What is the InChIKey of 4,4-difluoro-3-hydroxy-1-methylpyrrolidin-2-one?
The InChIKey is VLKNRKOSBLXZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2NO2/c1-8-2-5(6,7)3(9)4(8)10/h3,9H,2H2,1H3.
What are the key properties of 4,4-difluoro-3-hydroxy-1-methylpyrrolidin-2-one?
4,4-difluoro-3-hydroxy-1-methylpyrrolidin-2-one has a molecular weight of 151.11 g/mol, XLogP of -0.55, 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-methylpyrrolidin-2-one is sourced from PubChem (CID 170573482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).