4-(fluoromethyl)-5-(2-hydroxyphenyl)-1-methylpyrrolidin-2-one

C12H14FNO2 — CID 83855912

IUPAC4-(fluoromethyl)-5-(2-hydroxyphenyl)-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CC(CF)C1c1ccccc1O
InChIInChI=1S/C12H14FNO2/c1-14-11(16)6-8(7-13)12(14)9-4-2-3-5-10(9)15/h2-5,8,12,15H,6-7H2,1H3
InChIKeyPKNMWOZGFAOQJY-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.88
Rot. Bonds2

About 4-(fluoromethyl)-5-(2-hydroxyphenyl)-1-methylpyrrolidin-2-one

4-(fluoromethyl)-5-(2-hydroxyphenyl)-1-methylpyrrolidin-2-one (PubChem CID 83855912) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 4-(fluoromethyl)-5-(2-hydroxyphenyl)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(fluoromethyl)-5-(2-hydroxyphenyl)-1-methylpyrrolidin-2-one
PubChem CID83855912
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name4-(fluoromethyl)-5-(2-hydroxyphenyl)-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CC(CF)C1c1ccccc1O
InChIInChI=1S/C12H14FNO2/c1-14-11(16)6-8(7-13)12(14)9-4-2-3-5-10(9)15/h2-5,8,12,15H,6-7H2,1H3
InChIKeyPKNMWOZGFAOQJY-UHFFFAOYSA-N
XLogP1.88
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 4-(fluoromethyl)-5-(2-hydroxyphenyl)-1-methylpyrrolidin-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-aminophenyl)-4-(fluoromethyl)-1-methylpyrrolidin-2-one
CID 83855728
2-ethyl-5-(2-hydroxyphenyl)pyrazolidin-3-one
CID 105458849
4-(2-hydroxyphenyl)-3-methyl-4,4a,5,6,7,7a-hexahydrocyclopenta[e][1,3]oxazin-2-one
CID 12638728
1-cyclopropyl-4-hydroxy-5-(2-hydroxyphenyl)pyrrolidin-2-one
CID 105492461
4-(2-fluorophenyl)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one
CID 22677650
4-(2-hydroxyphenyl)-3-methyl-1,3-oxazinan-2-one
CID 105460035
5-amino-6-(2-cyclopropylphenyl)-1-methylpiperidin-2-one
CID 79977730
2-(2-hydroxyphenyl)-1-methylpyrrolidin-3-ol
CID 105446964
(2R,3S)-2-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 51970481
1,3-diethyl-2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 110017679
(4R,4aS,5R,8aR)-4-(2-hydroxyphenyl)-3,5,8-trimethyl-1,4,4a,5,6,8a-hexahydropyrimido[4,5-d]pyrimidine-2,7-dione
CID 928392
(2S,3R)-N-(2-hydroxyphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 29136577

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-5-(2-hydroxyphenyl)-1-methylpyrrolidin-2-one?
The IUPAC name of 4-(fluoromethyl)-5-(2-hydroxyphenyl)-1-methylpyrrolidin-2-one (CID 83855912) is 4-(fluoromethyl)-5-(2-hydroxyphenyl)-1-methylpyrrolidin-2-one.
What is the SMILES notation for 4-(fluoromethyl)-5-(2-hydroxyphenyl)-1-methylpyrrolidin-2-one?
The canonical SMILES for 4-(fluoromethyl)-5-(2-hydroxyphenyl)-1-methylpyrrolidin-2-one is CN1C(=O)CC(CF)C1c1ccccc1O.
What is the InChIKey of 4-(fluoromethyl)-5-(2-hydroxyphenyl)-1-methylpyrrolidin-2-one?
The InChIKey is PKNMWOZGFAOQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-14-11(16)6-8(7-13)12(14)9-4-2-3-5-10(9)15/h2-5,8,12,15H,6-7H2,1H3.
What are the key properties of 4-(fluoromethyl)-5-(2-hydroxyphenyl)-1-methylpyrrolidin-2-one?
4-(fluoromethyl)-5-(2-hydroxyphenyl)-1-methylpyrrolidin-2-one has a molecular weight of 223.25 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-5-(2-hydroxyphenyl)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 83855912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).