5-[(2,4-difluorophenyl)methyl]pyrrolidin-2-one

C11H11F2NO — CID 104687134

IUPAC5-[(2,4-difluorophenyl)methyl]pyrrolidin-2-one
SMILESO=C1CCC(Cc2ccc(F)cc2F)N1
InChIInChI=1S/C11H11F2NO/c12-8-2-1-7(10(13)6-8)5-9-3-4-11(15)14-9/h1-2,6,9H,3-5H2,(H,14,15)
InChIKeyJBOVIWAUWIOFNB-UHFFFAOYSA-N
MW211.21 g/mol
LogP1.79
Rot. Bonds2

About 5-[(2,4-difluorophenyl)methyl]pyrrolidin-2-one

5-[(2,4-difluorophenyl)methyl]pyrrolidin-2-one (PubChem CID 104687134) has the molecular formula C11H11F2NO and a molecular weight of 211.21 g/mol. Its IUPAC name is 5-[(2,4-difluorophenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[(2,4-difluorophenyl)methyl]pyrrolidin-2-one
PubChem CID104687134
Molecular FormulaC11H11F2NO
Molecular Weight211.21 g/mol
Exact Mass211.08
IUPAC Name5-[(2,4-difluorophenyl)methyl]pyrrolidin-2-one
SMILESO=C1CCC(Cc2ccc(F)cc2F)N1
InChIInChI=1S/C11H11F2NO/c12-8-2-1-7(10(13)6-8)5-9-3-4-11(15)14-9/h1-2,6,9H,3-5H2,(H,14,15)
InChIKeyJBOVIWAUWIOFNB-UHFFFAOYSA-N
XLogP1.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-[(2,4-difluorophenyl)methyl]pyrrolidin-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

5-[(2,5-difluorophenyl)methyl]pyrrolidin-2-one
CID 104687085
5-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-2-one
CID 104687017
5-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
CID 104687151
5-[(2-chloro-5-fluoroanilino)methyl]pyrrolidin-2-one
CID 107530188
1-[(2,4-difluorophenyl)methyl]-3-ethyl-1,4-diazepane-2,5-dione
CID 64882658
5-[(2,4-difluorophenyl)methyl]-1-(2,6-dimethylphenyl)piperidin-2-one
CID 10172049
5-[(2,4-difluorophenyl)methyl]-1-(2,4,6-trimethylphenyl)piperidin-2-one
CID 142244835
5-[(4-bromothiophen-3-yl)methyl]pyrrolidin-2-one
CID 130525277
1-(3-bromo-3-cyclopropylpropyl)-2,4-difluorobenzene
CID 63358358
1-cyclopropyl-2-(2,4-difluorophenyl)ethanone
CID 23138773
2-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 64955508
6-[(2,4-difluorophenyl)methyl]-1-methylpiperazin-2-one
CID 116817354

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-difluorophenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 5-[(2,4-difluorophenyl)methyl]pyrrolidin-2-one (CID 104687134) is 5-[(2,4-difluorophenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[(2,4-difluorophenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[(2,4-difluorophenyl)methyl]pyrrolidin-2-one is O=C1CCC(Cc2ccc(F)cc2F)N1.
What is the InChIKey of 5-[(2,4-difluorophenyl)methyl]pyrrolidin-2-one?
The InChIKey is JBOVIWAUWIOFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO/c12-8-2-1-7(10(13)6-8)5-9-3-4-11(15)14-9/h1-2,6,9H,3-5H2,(H,14,15).
What are the key properties of 5-[(2,4-difluorophenyl)methyl]pyrrolidin-2-one?
5-[(2,4-difluorophenyl)methyl]pyrrolidin-2-one has a molecular weight of 211.21 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-difluorophenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 104687134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).