[5-(2-fluorophenyl)pyrrolidin-3-yl] acetate

C12H14FNO2 — CID 118879052

IUPAC[5-(2-fluorophenyl)pyrrolidin-3-yl] acetate
SMILESCC(=O)OC1CNC(c2ccccc2F)C1
InChIInChI=1S/C12H14FNO2/c1-8(15)16-9-6-12(14-7-9)10-4-2-3-5-11(10)13/h2-5,9,12,14H,6-7H2,1H3
InChIKeyJHEHPSYIGSUTGE-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.79
Rot. Bonds2

About [5-(2-fluorophenyl)pyrrolidin-3-yl] acetate

[5-(2-fluorophenyl)pyrrolidin-3-yl] acetate (PubChem CID 118879052) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is [5-(2-fluorophenyl)pyrrolidin-3-yl] acetate.

Molecular Properties

Compound Name[5-(2-fluorophenyl)pyrrolidin-3-yl] acetate
PubChem CID118879052
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name[5-(2-fluorophenyl)pyrrolidin-3-yl] acetate
SMILESCC(=O)OC1CNC(c2ccccc2F)C1
InChIInChI=1S/C12H14FNO2/c1-8(15)16-9-6-12(14-7-9)10-4-2-3-5-11(10)13/h2-5,9,12,14H,6-7H2,1H3
InChIKeyJHEHPSYIGSUTGE-UHFFFAOYSA-N
XLogP1.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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 ≤ 103

Analyze [5-(2-fluorophenyl)pyrrolidin-3-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(2-fluorophenyl)pyrrolidin-3-yl] acetate?
The IUPAC name of [5-(2-fluorophenyl)pyrrolidin-3-yl] acetate (CID 118879052) is [5-(2-fluorophenyl)pyrrolidin-3-yl] acetate.
What is the SMILES notation for [5-(2-fluorophenyl)pyrrolidin-3-yl] acetate?
The canonical SMILES for [5-(2-fluorophenyl)pyrrolidin-3-yl] acetate is CC(=O)OC1CNC(c2ccccc2F)C1.
What is the InChIKey of [5-(2-fluorophenyl)pyrrolidin-3-yl] acetate?
The InChIKey is JHEHPSYIGSUTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-8(15)16-9-6-12(14-7-9)10-4-2-3-5-11(10)13/h2-5,9,12,14H,6-7H2,1H3.
What are the key properties of [5-(2-fluorophenyl)pyrrolidin-3-yl] acetate?
[5-(2-fluorophenyl)pyrrolidin-3-yl] acetate has a molecular weight of 223.25 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluorophenyl)pyrrolidin-3-yl] acetate is sourced from PubChem (CID 118879052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).