1-benzyl-3,3-difluoro-4-hydroxypyrrolidin-2-one

C11H11F2NO2 — CID 131329119

IUPAC1-benzyl-3,3-difluoro-4-hydroxypyrrolidin-2-one
SMILESO=C1N(Cc2ccccc2)CC(O)C1(F)F
InChIInChI=1S/C11H11F2NO2/c12-11(13)9(15)7-14(10(11)16)6-8-4-2-1-3-5-8/h1-5,9,15H,6-7H2
InChIKeyXILQCTHDPQEMRF-UHFFFAOYSA-N
MW227.21 g/mol
LogP1.02
Rot. Bonds2

About 1-benzyl-3,3-difluoro-4-hydroxypyrrolidin-2-one

1-benzyl-3,3-difluoro-4-hydroxypyrrolidin-2-one (PubChem CID 131329119) has the molecular formula C11H11F2NO2 and a molecular weight of 227.21 g/mol. Its IUPAC name is 1-benzyl-3,3-difluoro-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-3,3-difluoro-4-hydroxypyrrolidin-2-one
PubChem CID131329119
Molecular FormulaC11H11F2NO2
Molecular Weight227.21 g/mol
Exact Mass227.08
IUPAC Name1-benzyl-3,3-difluoro-4-hydroxypyrrolidin-2-one
SMILESO=C1N(Cc2ccccc2)CC(O)C1(F)F
InChIInChI=1S/C11H11F2NO2/c12-11(13)9(15)7-14(10(11)16)6-8-4-2-1-3-5-8/h1-5,9,15H,6-7H2
InChIKeyXILQCTHDPQEMRF-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-3,3-difluoro-4-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

(7R)-5-benzyl-7-hydroxy-5-azaspiro[2.4]heptan-4-one
CID 10751244
1-benzyl-3,3-difluoro-5-hydroxypyrrolidin-2-one
CID 101435027
(3S,4R)-1-benzyl-3-chloro-4-(dichloromethyl)-3-methylpyrrolidin-2-one
CID 100987589
(3R,4R)-1-benzyl-3-chloro-4-(dichloromethyl)-3-methylpyrrolidin-2-one
CID 100987586
1-benzyl-3,3-dimethyl-4-methylidenepyrrolidin-2-one
CID 11806087
1,3-dibenzyl-5-phenyl-1,3-diazinan-2-one
CID 59057333
(6R)-4-benzyl-2-hydroxy-6-phenylmorpholin-3-one
CID 101359131
(3S)-1-benzyl-3-ethyl-3-fluoroazetidin-2-one
CID 101455407
1-benzyl-3-(benzylamino)azetidin-2-one
CID 86116144
(3R,4R)-1-benzyl-3-hydroxy-4-(hydroxymethyl)pyrrolidin-2-one
CID 11600997
5-benzyl-5-azaspiro[2.3]hexan-6-one
CID 11492070
(4S)-1-(3-chlorophenyl)-3,3-difluoro-4-hydroxypyrrolidin-2-one
CID 58238342

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,3-difluoro-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-benzyl-3,3-difluoro-4-hydroxypyrrolidin-2-one (CID 131329119) is 1-benzyl-3,3-difluoro-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-3,3-difluoro-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-benzyl-3,3-difluoro-4-hydroxypyrrolidin-2-one is O=C1N(Cc2ccccc2)CC(O)C1(F)F.
What is the InChIKey of 1-benzyl-3,3-difluoro-4-hydroxypyrrolidin-2-one?
The InChIKey is XILQCTHDPQEMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO2/c12-11(13)9(15)7-14(10(11)16)6-8-4-2-1-3-5-8/h1-5,9,15H,6-7H2.
What are the key properties of 1-benzyl-3,3-difluoro-4-hydroxypyrrolidin-2-one?
1-benzyl-3,3-difluoro-4-hydroxypyrrolidin-2-one has a molecular weight of 227.21 g/mol, XLogP of 1.02, 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-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 131329119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).