2-ethoxy-4-fluoroaniline

• ChemBase ID: 18056
• Molecular Formular: C8H10FNO
• Molecular Mass: 155.1695032
• Monoisotopic Mass: 155.07464217
• SMILES: c1(cc(ccc1N)F)OCC
• Canonical SMILES: CCOc1cc(F)ccc1N
• InChI: InChI=1S/C8H10FNO/c1-2-11-8-5-6(9)3-4-7(8)10/h3-5H,2,10H2,1H3
• InChIKey: CNNNOMZFRQSTMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxy-4-fluoroaniline
• IUPAC Traditional name: 2-ethoxy-4-fluoroaniline
• Synonyms: 2-Ethoxy-4-fluoro-phenylamine; 2-ethoxy-4-fluoroaniline

Database IDs

• MDL Number: MFCD07801192
• PubChem SID: 160981363
• PubChem CID: 3734463

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4769915
• LogD (pH = 7.4): 1.4860419
• Log P: 1.4861585
• Molar Refractivity: 42.1866 cm^3
• Polarizability: 15.507815 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.984

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%