5-[(3-fluoro-5-methylphenoxy)methyl]pyrrolidin-2-one

C12H14FNO2 — CID 143178317

IUPAC5-[(3-fluoro-5-methylphenoxy)methyl]pyrrolidin-2-one
SMILESCc1cc(F)cc(OCC2CCC(=O)N2)c1
InChIInChI=1S/C12H14FNO2/c1-8-4-9(13)6-11(5-8)16-7-10-2-3-12(15)14-10/h4-6,10H,2-3,7H2,1H3,(H,14,15)
InChIKeyPXFNIDJMOQNRTG-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.79
Rot. Bonds3

About 5-[(3-fluoro-5-methylphenoxy)methyl]pyrrolidin-2-one

5-[(3-fluoro-5-methylphenoxy)methyl]pyrrolidin-2-one (PubChem CID 143178317) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 5-[(3-fluoro-5-methylphenoxy)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[(3-fluoro-5-methylphenoxy)methyl]pyrrolidin-2-one
PubChem CID143178317
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name5-[(3-fluoro-5-methylphenoxy)methyl]pyrrolidin-2-one
SMILESCc1cc(F)cc(OCC2CCC(=O)N2)c1
InChIInChI=1S/C12H14FNO2/c1-8-4-9(13)6-11(5-8)16-7-10-2-3-12(15)14-10/h4-6,10H,2-3,7H2,1H3,(H,14,15)
InChIKeyPXFNIDJMOQNRTG-UHFFFAOYSA-N
XLogP1.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[(3-fluoro-5-methylphenoxy)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-oxopyrrolidin-2-yl)methyl 3-fluoro-5-methylbenzoate
CID 75494429
3-[(3-fluoro-5-methylphenoxy)methyl]azetidine
CID 154815250
5-[[4-(aminomethyl)phenoxy]methyl]pyrrolidin-2-one
CID 107530711
5-[(3-acetylphenoxy)methyl]pyrrolidin-2-one
CID 117051927
5-[(4-amino-2-methylphenoxy)methyl]pyrrolidin-2-one
CID 107530708
(2R)-2-[(3,5-dimethylphenoxy)methyl]pyrrolidine
CID 59628765
5-[[(1S)-1-hydroxy-2,3-dihydro-1H-inden-5-yl]oxymethyl]pyrrolidin-2-one
CID 114281692
N-[(2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]phenyl]propan-2-yl]acetamide
CID 70327943
(4R)-4-[(3,5-dichlorophenoxy)methyl]azetidin-2-one
CID 70971063
(5-oxopyrrolidin-2-yl)methyl 1-(3,5-dimethylphenyl)-5-methylpyrazole-3-carboxylate
CID 86782692
1-fluoro-3-[(4-fluorophenyl)methoxy]-5-methylbenzene
CID 143178239
5-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-2-one
CID 104687017

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoro-5-methylphenoxy)methyl]pyrrolidin-2-one?
The IUPAC name of 5-[(3-fluoro-5-methylphenoxy)methyl]pyrrolidin-2-one (CID 143178317) is 5-[(3-fluoro-5-methylphenoxy)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[(3-fluoro-5-methylphenoxy)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[(3-fluoro-5-methylphenoxy)methyl]pyrrolidin-2-one is Cc1cc(F)cc(OCC2CCC(=O)N2)c1.
What is the InChIKey of 5-[(3-fluoro-5-methylphenoxy)methyl]pyrrolidin-2-one?
The InChIKey is PXFNIDJMOQNRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-8-4-9(13)6-11(5-8)16-7-10-2-3-12(15)14-10/h4-6,10H,2-3,7H2,1H3,(H,14,15).
What are the key properties of 5-[(3-fluoro-5-methylphenoxy)methyl]pyrrolidin-2-one?
5-[(3-fluoro-5-methylphenoxy)methyl]pyrrolidin-2-one has a molecular weight of 223.25 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluoro-5-methylphenoxy)methyl]pyrrolidin-2-one is sourced from PubChem (CID 143178317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).