2-fluoro-5-methoxyaniline

• ChemBase ID: 97893
• Molecular Formular: C7H8FNO
• Molecular Mass: 141.1429232
• Monoisotopic Mass: 141.0589921
• SMILES: Nc1c(ccc(c1)OC)F
• Canonical SMILES: COc1ccc(c(c1)N)F
• InChI: InChI=1S/C7H8FNO/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3
• InChIKey: RUTKJXMYXZFXPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-5-methoxyaniline
• IUPAC Traditional name: 2-fluoro-5-methoxyaniline
• Synonyms: 3-Amino-4-fluoroanisole; 6-Fluoro-m-anisidine; 2-Fluoro-5-methoxyaniline

Database IDs

• CAS Number: 62257-15-2
• MDL Number: MFCD11226283
• PubChem SID: 162084397
• PubChem CID: 13559075

CALCULATED PROPERTIES

• Acid pKa: 18.295292
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1292231
• LogD (pH = 7.4): 1.1293489
• Log P: 1.1293505
• Molar Refractivity: 37.438 cm^3
• Polarizability: 13.679543 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.278

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Keep Cold

Product Information

• Purity: 95%; 95+%