4-ethoxy-2-fluoroaniline hydrochloride

• ChemBase ID: 813510
• Molecular Formular: C8H11ClFNO
• Molecular Mass: 191.6304432
• Monoisotopic Mass: 191.05131988
• SMILES: Cl.Nc1c(cc(cc1)OCC)F
• Canonical SMILES: CCOc1ccc(c(c1)F)N.Cl
• InChI: InChI=1S/C8H10FNO.ClH/c1-2-11-6-3-4-8(10)7(9)5-6;/h3-5H,2,10H2,1H3;1H
• InChIKey: DJLOCUSOGLHJOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethoxy-2-fluoroaniline hydrochloride
• IUPAC Traditional name: 4-ethoxy-2-fluoroaniline hydrochloride
• Synonyms: 4-ETHOXY-2-FLUOROANILINE HYDROCHLORIDE

Database IDs

• CAS Number: 380430-46-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4841884
• LogD (pH = 7.4): 1.4861336
• Log P: 1.4861585
• Molar Refractivity: 42.1866 cm^3
• Polarizability: 15.506956 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%