N-ethyl-4-fluoroaniline

• ChemBase ID: 57391
• Molecular Formular: C8H10FN
• Molecular Mass: 139.1701032
• Monoisotopic Mass: 139.07972755
• SMILES: c1cc(ccc1NCC)F
• Canonical SMILES: CCNc1ccc(cc1)F
• InChI: InChI=1S/C8H10FN/c1-2-10-8-5-3-7(9)4-6-8/h3-6,10H,2H2,1H3
• InChIKey: MBSPOYRKNIDVOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-4-fluoroaniline
• IUPAC Traditional name: N-ethyl-4-fluoroaniline
• Synonyms: N-Ethyl-4-fluoroaniline; N-ethyl-N-(4-fluorophenyl)amine

Database IDs

• CAS Number: 405-67-4
• MDL Number: MFCD03210682
• PubChem SID: 162062154
• PubChem CID: 4962184

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.8275163
• LogD (pH = 7.4): 1.9438285
• Log P: 1.9455339
• Molar Refractivity: 41.2168 cm^3
• Polarizability: 14.802314 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 210 - 215°C
• Hydrophobicity(logP): 2.615

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%