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

C11H11F2NO2 — CID 177460730

IUPAC5-benzyl-3,3-difluoro-4-hydroxypyrrolidin-2-one
SMILESO=C1NC(Cc2ccccc2)C(O)C1(F)F
InChIInChI=1S/C11H11F2NO2/c12-11(13)9(15)8(14-10(11)16)6-7-4-2-1-3-5-7/h1-5,8-9,15H,6H2,(H,14,16)
InChIKeyYDFLQKDFDWTNDE-UHFFFAOYSA-N
MW227.21 g/mol
LogP0.72
Rot. Bonds2

About 5-benzyl-3,3-difluoro-4-hydroxypyrrolidin-2-one

5-benzyl-3,3-difluoro-4-hydroxypyrrolidin-2-one (PubChem CID 177460730) has the molecular formula C11H11F2NO2 and a molecular weight of 227.21 g/mol. Its IUPAC name is 5-benzyl-3,3-difluoro-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name5-benzyl-3,3-difluoro-4-hydroxypyrrolidin-2-one
PubChem CID177460730
Molecular FormulaC11H11F2NO2
Molecular Weight227.21 g/mol
Exact Mass227.08
IUPAC Name5-benzyl-3,3-difluoro-4-hydroxypyrrolidin-2-one
SMILESO=C1NC(Cc2ccccc2)C(O)C1(F)F
InChIInChI=1S/C11H11F2NO2/c12-11(13)9(15)8(14-10(11)16)6-7-4-2-1-3-5-7/h1-5,8-9,15H,6H2,(H,14,16)
InChIKeyYDFLQKDFDWTNDE-UHFFFAOYSA-N
XLogP0.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 102382983
(4S,5S)-4-benzyl-5-[(4S,5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]-1,3-oxazolidin-2-one
CID 15012939
(4R,6R)-5-hydroxy-4,6-bis(2-phenylethyl)-1,3-diazinan-2-one
CID 101209097
4-benzyl-3-ethylazetidin-2-one
CID 85185683
(5R)-4-benzyl-1,5-dimethylimidazolidin-2-one
CID 155214736
2-benzylpiperidin-3-ol;hydrochloride
CID 115036439
6-benzylpiperazine-2,3,5-trione
CID 14446168
(5S)-5-(phenyl(113C)methyl)imidazolidine-2,4-dione
CID 53360215
(3S,4R,5R)-2-benzyl-6-(hydroxymethyl)piperidine-3,4,5-triol
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(3S,6S)-3-benzyl-6-(hydroxymethyl)piperazine-2,5-dione
CID 6951076
(4,7-dibenzyl-6-hydroxy-2-oxo-1,3-diazepan-5-yl) acetate
CID 22089000

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3,3-difluoro-4-hydroxypyrrolidin-2-one?
The IUPAC name of 5-benzyl-3,3-difluoro-4-hydroxypyrrolidin-2-one (CID 177460730) is 5-benzyl-3,3-difluoro-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 5-benzyl-3,3-difluoro-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 5-benzyl-3,3-difluoro-4-hydroxypyrrolidin-2-one is O=C1NC(Cc2ccccc2)C(O)C1(F)F.
What is the InChIKey of 5-benzyl-3,3-difluoro-4-hydroxypyrrolidin-2-one?
The InChIKey is YDFLQKDFDWTNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO2/c12-11(13)9(15)8(14-10(11)16)6-7-4-2-1-3-5-7/h1-5,8-9,15H,6H2,(H,14,16).
What are the key properties of 5-benzyl-3,3-difluoro-4-hydroxypyrrolidin-2-one?
5-benzyl-3,3-difluoro-4-hydroxypyrrolidin-2-one has a molecular weight of 227.21 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3,3-difluoro-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 177460730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).