4-hydroxy-1-[(2,4,6-trifluorophenyl)methyl]pyrrolidin-2-one

C11H10F3NO2 — CID 168703000

IUPAC4-hydroxy-1-[(2,4,6-trifluorophenyl)methyl]pyrrolidin-2-one
SMILESO=C1CC(O)CN1Cc1c(F)cc(F)cc1F
InChIInChI=1S/C11H10F3NO2/c12-6-1-9(13)8(10(14)2-6)5-15-4-7(16)3-11(15)17/h1-2,7,16H,3-5H2
InChIKeyWDFFGIRBHGKMSE-UHFFFAOYSA-N
MW245.20 g/mol
LogP1.20
Rot. Bonds2

About 4-hydroxy-1-[(2,4,6-trifluorophenyl)methyl]pyrrolidin-2-one

4-hydroxy-1-[(2,4,6-trifluorophenyl)methyl]pyrrolidin-2-one (PubChem CID 168703000) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is 4-hydroxy-1-[(2,4,6-trifluorophenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-[(2,4,6-trifluorophenyl)methyl]pyrrolidin-2-one
PubChem CID168703000
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Name4-hydroxy-1-[(2,4,6-trifluorophenyl)methyl]pyrrolidin-2-one
SMILESO=C1CC(O)CN1Cc1c(F)cc(F)cc1F
InChIInChI=1S/C11H10F3NO2/c12-6-1-9(13)8(10(14)2-6)5-15-4-7(16)3-11(15)17/h1-2,7,16H,3-5H2
InChIKeyWDFFGIRBHGKMSE-UHFFFAOYSA-N
XLogP1.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4,6-difluorophenyl)-4-hydroxypyrrolidin-2-one
CID 83087452
1-[(2,5-dimethylphenyl)methyl]-4-hydroxypyrrolidin-2-one
CID 168702646
4-hydroxy-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one
CID 79237900
1-[(4-tert-butylphenyl)methyl]-4-hydroxypyrrolidin-2-one
CID 168701837
1-[(3,5-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 45032320
1-[(2,6-difluorophenyl)methyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671051
1-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-hydroxypyrrolidin-2-one
CID 168702100
4-hydroxy-1-[(2-methyltriazol-4-yl)methyl]pyrrolidin-2-one
CID 130948204
4-hydroxy-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one
CID 168702894
1-[(2,4-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 168697391
1-[(3-fluoro-5-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691160
1-[(3,5-difluorophenyl)methyl]-4-ethynylpyrrolidin-2-one
CID 168501805

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[(2,4,6-trifluorophenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-hydroxy-1-[(2,4,6-trifluorophenyl)methyl]pyrrolidin-2-one (CID 168703000) is 4-hydroxy-1-[(2,4,6-trifluorophenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-[(2,4,6-trifluorophenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-1-[(2,4,6-trifluorophenyl)methyl]pyrrolidin-2-one is O=C1CC(O)CN1Cc1c(F)cc(F)cc1F.
What is the InChIKey of 4-hydroxy-1-[(2,4,6-trifluorophenyl)methyl]pyrrolidin-2-one?
The InChIKey is WDFFGIRBHGKMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2/c12-6-1-9(13)8(10(14)2-6)5-15-4-7(16)3-11(15)17/h1-2,7,16H,3-5H2.
What are the key properties of 4-hydroxy-1-[(2,4,6-trifluorophenyl)methyl]pyrrolidin-2-one?
4-hydroxy-1-[(2,4,6-trifluorophenyl)methyl]pyrrolidin-2-one has a molecular weight of 245.20 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[(2,4,6-trifluorophenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 168703000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).