2-fluoro-5-(furan-2-yl)aniline

• ChemBase ID: 283883
• Molecular Formular: C10H8FNO
• Molecular Mass: 177.1750232
• Monoisotopic Mass: 177.0589921
• SMILES: c1(c2cc(c(cc2)F)N)occc1
• Canonical SMILES: Fc1ccc(cc1N)c1ccco1
• InChI: InChI=1S/C10H8FNO/c11-8-4-3-7(6-9(8)12)10-2-1-5-13-10/h1-6H,12H2
• InChIKey: VHSWCGZYIBRVDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-5-(furan-2-yl)aniline
• IUPAC Traditional name: 2-fluoro-5-(furan-2-yl)aniline
• Synonyms: 2-fluoro-5-(furan-2-yl)aniline

Database IDs

• MDL Number: MFCD14623706
• PubChem SID: 180669414
• PubChem CID: 54595781

CALCULATED PROPERTIES

• Acid pKa: 18.410524
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.9944187
• LogD (pH = 7.4): 1.9944929
• Log P: 1.9944938
• Molar Refractivity: 48.5019 cm^3
• Polarizability: 18.92935 Å^3
• Polar Surface Area: 39.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 40 - 42°C
• Hydrophobicity(logP): 2.532

Product Information

• Purity: 95%