1-[(2R)-2-[(2S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone

C18H25FN2O2 — CID 95307713

IUPAC1-[(2R)-2-[(2S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CCOc1ccccc1F
InChIInChI=1S/C18H25FN2O2/c1-14(22)21-11-5-8-17(21)16-7-4-10-20(16)12-13-23-18-9-3-2-6-15(18)19/h2-3,6,9,16-17H,4-5,7-8,10-13H2,1H3/t16-,17+/m0/s1
InChIKeyACRAXEXWXRWHQO-DLBZAZTESA-N
MW320.41 g/mol
LogP2.68
Rot. Bonds5

About 1-[(2R)-2-[(2S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone

1-[(2R)-2-[(2S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 95307713) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-[(2R)-2-[(2S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-[(2S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
PubChem CID95307713
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name1-[(2R)-2-[(2S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CCOc1ccccc1F
InChIInChI=1S/C18H25FN2O2/c1-14(22)21-11-5-8-17(21)16-7-4-10-20(16)12-13-23-18-9-3-2-6-15(18)19/h2-3,6,9,16-17H,4-5,7-8,10-13H2,1H3/t16-,17+/m0/s1
InChIKeyACRAXEXWXRWHQO-DLBZAZTESA-N
XLogP2.68
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2R)-2-[(2S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone 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

1-[(2R)-2-[(2S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95311251
1-[(2R)-2-[(2R)-1-[2-(3-fluorophenoxy)ethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95325300
1-[(2S)-2-[(2S)-1-[2-(3-fluorophenoxy)ethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95325298
1-[(2R)-2-[(2R)-1-[3-(4-fluorophenoxy)propyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95346776
1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909139
[(2S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-2-yl]methanol
CID 78942355
1-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]ethanone
CID 53150747
[1-[[1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 111753162
1-[2-[1-[3-(4-methoxyphenoxy)propyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 56781703
1-[(2R)-2-[(2S)-1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95613097
1-[(2S)-2-[(2S)-1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95354140
(2R)-1-[3-(2-fluorophenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 78922238

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[(2S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-[(2S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone (CID 95307713) is 1-[(2R)-2-[(2S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-[(2S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-[(2S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CCOc1ccccc1F.
What is the InChIKey of 1-[(2R)-2-[(2S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is ACRAXEXWXRWHQO-DLBZAZTESA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-14(22)21-11-5-8-17(21)16-7-4-10-20(16)12-13-23-18-9-3-2-6-15(18)19/h2-3,6,9,16-17H,4-5,7-8,10-13H2,1H3/t16-,17+/m0/s1.
What are the key properties of 1-[(2R)-2-[(2S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
1-[(2R)-2-[(2S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 320.41 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[(2S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95307713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).