1-benzyl-3,3-difluoro-5-hydroxypyrrolidin-2-one

C11H11F2NO2 — CID 101435027

IUPAC1-benzyl-3,3-difluoro-5-hydroxypyrrolidin-2-one
SMILESO=C1N(Cc2ccccc2)C(O)CC1(F)F
InChIInChI=1S/C11H11F2NO2/c12-11(13)6-9(15)14(10(11)16)7-8-4-2-1-3-5-8/h1-5,9,15H,6-7H2
InChIKeyWWRJMUGCUXHWOA-UHFFFAOYSA-N
MW227.21 g/mol
LogP1.37
Rot. Bonds2

About 1-benzyl-3,3-difluoro-5-hydroxypyrrolidin-2-one

1-benzyl-3,3-difluoro-5-hydroxypyrrolidin-2-one (PubChem CID 101435027) has the molecular formula C11H11F2NO2 and a molecular weight of 227.21 g/mol. Its IUPAC name is 1-benzyl-3,3-difluoro-5-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-3,3-difluoro-5-hydroxypyrrolidin-2-one
PubChem CID101435027
Molecular FormulaC11H11F2NO2
Molecular Weight227.21 g/mol
Exact Mass227.08
IUPAC Name1-benzyl-3,3-difluoro-5-hydroxypyrrolidin-2-one
SMILESO=C1N(Cc2ccccc2)C(O)CC1(F)F
InChIInChI=1S/C11H11F2NO2/c12-11(13)6-9(15)14(10(11)16)7-8-4-2-1-3-5-8/h1-5,9,15H,6-7H2
InChIKeyWWRJMUGCUXHWOA-UHFFFAOYSA-N
XLogP1.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-3,3-difluoro-5-hydroxypyrrolidin-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-benzyl-3,3-difluoro-4-hydroxypyrrolidin-2-one
CID 131329119
(3R,4S,6R)-1-benzyl-4-hydroxy-3,6-dimethylpiperidin-2-one
CID 156527480
(1S,3R,5R,6R)-7-benzyl-3,5-dihydroxy-3-methyl-2-oxa-7-azabicyclo[4.2.0]octan-8-one
CID 102040133
1-benzyl-4-phenylazetidin-2-one;ethane
CID 91301101
(1S,4R)-2-benzyl-5-hydroxy-2-azabicyclo[2.2.1]heptan-3-one
CID 155164341
(2R)-1-benzyl-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one
CID 7289774
(5S,8R,10R)-7-benzyl-10-(4-chlorophenyl)-8-hydroxy-7-azaspiro[4.5]decane-4,6-dione
CID 132572928
2,4-dibenzyl-2,4-diazabicyclo[3.2.0]heptan-3-one
CID 86091539
(4R)-1-benzyl-4-(hydroxymethyl)azetidin-2-one
CID 10856298
(2R)-1-benzyl-2-hydroxy-2H-pyrrol-5-one
CID 15504440
(3S,5R)-1-benzyl-5-methyl-3-phenylpyrrolidin-2-one
CID 102599255
(7R)-5-benzyl-7-hydroxy-5-azaspiro[2.4]heptan-4-one
CID 10751244

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,3-difluoro-5-hydroxypyrrolidin-2-one?
The IUPAC name of 1-benzyl-3,3-difluoro-5-hydroxypyrrolidin-2-one (CID 101435027) is 1-benzyl-3,3-difluoro-5-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-3,3-difluoro-5-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-benzyl-3,3-difluoro-5-hydroxypyrrolidin-2-one is O=C1N(Cc2ccccc2)C(O)CC1(F)F.
What is the InChIKey of 1-benzyl-3,3-difluoro-5-hydroxypyrrolidin-2-one?
The InChIKey is WWRJMUGCUXHWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO2/c12-11(13)6-9(15)14(10(11)16)7-8-4-2-1-3-5-8/h1-5,9,15H,6-7H2.
What are the key properties of 1-benzyl-3,3-difluoro-5-hydroxypyrrolidin-2-one?
1-benzyl-3,3-difluoro-5-hydroxypyrrolidin-2-one has a molecular weight of 227.21 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,3-difluoro-5-hydroxypyrrolidin-2-one is sourced from PubChem (CID 101435027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).