2-(4-fluorophenyl)-2-hydroxy-1-pyrrolidin-1-ylethanone

C12H14FNO2 — CID 82127986

IUPAC2-(4-fluorophenyl)-2-hydroxy-1-pyrrolidin-1-ylethanone
SMILESO=C(C(O)c1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C12H14FNO2/c13-10-5-3-9(4-6-10)11(15)12(16)14-7-1-2-8-14/h3-6,11,15H,1-2,7-8H2
InChIKeyBYKOLZXJWNBQNG-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.48
Rot. Bonds2

About 2-(4-fluorophenyl)-2-hydroxy-1-pyrrolidin-1-ylethanone

2-(4-fluorophenyl)-2-hydroxy-1-pyrrolidin-1-ylethanone (PubChem CID 82127986) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-hydroxy-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-hydroxy-1-pyrrolidin-1-ylethanone
PubChem CID82127986
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name2-(4-fluorophenyl)-2-hydroxy-1-pyrrolidin-1-ylethanone
SMILESO=C(C(O)c1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C12H14FNO2/c13-10-5-3-9(4-6-10)11(15)12(16)14-7-1-2-8-14/h3-6,11,15H,1-2,7-8H2
InChIKeyBYKOLZXJWNBQNG-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-fluorophenyl)-2-hydroxy-1-pyrrolidin-1-ylethanone 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

2-(4-fluorophenyl)-2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 134506544
(2S)-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone
CID 11257941
(2R)-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone
CID 25233871
2-amino-3-(4-fluorophenyl)-4-hydroxy-1-pyrrolidin-1-ylbutan-1-one
CID 163525118
9-[2-(4-fluorophenyl)-2-hydroxyacetyl]-3,9-diazaspiro[5.5]undecane-2,4-dione
CID 91782284
2-(4-fluorophenyl)-2-hydroxy-1-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 134714283
3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
CID 143845941
(2R)-1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone
CID 46215888
[1-(azepan-1-yl)-3-(4-fluorophenyl)-3-hydroxy-1-oxopropan-2-yl] carbamate
CID 140542866
1-(azepan-1-yl)-2-[1-(4-fluorophenyl)ethylamino]propan-1-one
CID 60676626
1'-[2-(4-fluorophenyl)-2-hydroxyacetyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70768044
2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 111109463

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-hydroxy-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(4-fluorophenyl)-2-hydroxy-1-pyrrolidin-1-ylethanone (CID 82127986) is 2-(4-fluorophenyl)-2-hydroxy-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-2-hydroxy-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(4-fluorophenyl)-2-hydroxy-1-pyrrolidin-1-ylethanone is O=C(C(O)c1ccc(F)cc1)N1CCCC1.
What is the InChIKey of 2-(4-fluorophenyl)-2-hydroxy-1-pyrrolidin-1-ylethanone?
The InChIKey is BYKOLZXJWNBQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-10-5-3-9(4-6-10)11(15)12(16)14-7-1-2-8-14/h3-6,11,15H,1-2,7-8H2.
What are the key properties of 2-(4-fluorophenyl)-2-hydroxy-1-pyrrolidin-1-ylethanone?
2-(4-fluorophenyl)-2-hydroxy-1-pyrrolidin-1-ylethanone has a molecular weight of 223.25 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-hydroxy-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 82127986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).