1-(2-fluorobenzoyl)pyrrolidine

• ChemBase ID: 299271
• Molecular Formular: C11H12FNO
• Molecular Mass: 193.2174832
• Monoisotopic Mass: 193.09029223
• SMILES: c1ccc(c(c1)C(=O)N1CCCC1)F
• Canonical SMILES: Fc1ccccc1C(=O)N1CCCC1
• InChI: InChI=1S/C11H12FNO/c12-10-6-2-1-5-9(10)11(14)13-7-3-4-8-13/h1-2,5-6H,3-4,7-8H2
• InChIKey: AZBXHPRYPHBYCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-fluorobenzoyl)pyrrolidine
• IUPAC Traditional name: 1-(2-fluorobenzoyl)pyrrolidine
• Synonyms: 1-(2-Fluorobenzoyl)pyrrolidine

Database IDs

• CAS Number: 347909-09-5
• MDL Number: MFCD00460952
• PubChem SID: 180684802
• PubChem CID: 3497148

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8197377
• LogD (pH = 7.4): 1.8197377
• Log P: 1.8197377
• Molar Refractivity: 52.6872 cm^3
• Polarizability: 19.476727 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%