N-ethyl-2-fluoroaniline

• ChemBase ID: 96149
• Molecular Formular: C8H10FN
• Molecular Mass: 139.1701032
• Monoisotopic Mass: 139.07972755
• SMILES: N(c1c(cccc1)F)CC
• Canonical SMILES: CCNc1ccccc1F
• InChI: InChI=1S/C8H10FN/c1-2-10-8-6-4-3-5-7(8)9/h3-6,10H,2H2,1H3
• InChIKey: QNSZDXLOSMUCPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-2-fluoroaniline
• IUPAC Traditional name: N-ethyl-2-fluoroaniline
• Synonyms: N-Ethyl-2-fluoroaniline 97%

Database IDs

• CAS Number: 2707-64-4
• MDL Number: MFCD00203991
• PubChem SID: 162082798
• PubChem CID: 2737180

CALCULATED PROPERTIES

• Acid pKa: 18.58412
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.9420857
• LogD (pH = 7.4): 1.9454902
• Log P: 1.9455339
• Molar Refractivity: 41.2168 cm^3
• Polarizability: 14.803614 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 72-74°C/15mm

Safety Information

• Storage Warning: Toxic