4-ethoxy-3-fluoroaniline

• ChemBase ID: 261488
• Molecular Formular: C8H10FNO
• Molecular Mass: 155.1695032
• Monoisotopic Mass: 155.07464217
• SMILES: c1(cc(N)ccc1OCC)F
• Canonical SMILES: CCOc1ccc(cc1F)N
• InChI: InChI=1S/C8H10FNO/c1-2-11-8-4-3-6(10)5-7(8)9/h3-5H,2,10H2,1H3
• InChIKey: ASLWQZGYKULGPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethoxy-3-fluoroaniline
• IUPAC Traditional name: 4-ethoxy-3-fluoroaniline
• Synonyms: 4-ethoxy-3-fluoroaniline

Database IDs

• MDL Number: MFCD08687709
• PubChem SID: 164317398
• PubChem CID: 19599205

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4715196
• LogD (pH = 7.4): 1.4859711
• Log P: 1.4861585
• Molar Refractivity: 42.1866 cm^3
• Polarizability: 15.506145 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 26 - 30°C
• Hydrophobicity(logP): 1.688

Product Information

• Purity: 95%