1-(4-Fluorophenyl)-2-(pyrrolidin-1-yl)propan-1-one

Base Information

• Chemical Name: 1-(4-Fluorophenyl)-2-(pyrrolidin-1-yl)propan-1-one
• CAS No.: 28117-76-2
• Molecular Formula: C13H16FNO
• Molecular Weight: 221.27100
• DSSTox Substance ID: DTXSID50655741,DTXSID001344512
• Nikkaji Number: J3.548.142G
• Mol file: 28117-76-2.mol

Synonyms:DTXSID50655741;DTXSID001344512;AKOS009049742;28117-76-2;PD047863;4'-Fluoro-.alpha.-pyrollidinopropiophenone;J3.548.142G;1-(4-Fluorophenyl)-2-pyrrolizino-1-propanone;1-(4-Fluorophenyl)-2-(pyrrolidin-1-yl)propan-1-one

Chemical Property of 1-(4-Fluorophenyl)-2-(pyrrolidin-1-yl)propan-1-one

Chemical Property:

• Boiling Point: 321.3±22.0 °C(Predicted)
• PKA: 8.10±0.20(Predicted)
• PSA: 20.31000
• Density: 1.131±0.06 g/cm3(Predicted)
• LogP: 2.43060
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 221.121592296
• Heavy Atom Count: 16
• Complexity: 242

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)C1=CC=C(C=C1)F)N2CCCC2