N,N-diethyl-2-fluorobenzamide

• ChemBase ID: 300676
• Molecular Formular: C11H14FNO
• Molecular Mass: 195.2333632
• Monoisotopic Mass: 195.10594229
• SMILES: CCN(CC)C(=O)c1ccccc1F
• Canonical SMILES: CCN(C(=O)c1ccccc1F)CC
• InChI: InChI=1S/C11H14FNO/c1-3-13(4-2)11(14)9-7-5-6-8-10(9)12/h5-8H,3-4H2,1-2H3
• InChIKey: IOVYXBLAGKVAGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethyl-2-fluorobenzamide
• IUPAC Traditional name: N,N-diethyl-2-fluorobenzamide
• Synonyms: N,N-Diethyl-2-fluorobenzamide

Database IDs

• CAS Number: 10345-76-3
• MDL Number: MFCD00460287

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.127556
• LogD (pH = 7.4): 2.127556
• Log P: 2.127556
• Molar Refractivity: 54.6434 cm^3
• Polarizability: 20.193922 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 3
• 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-P501

Product Information

• Purity: 97%