6-fluoro-2,3-dihydro-1-benzofuran-3-amine

• ChemBase ID: 803000
• Molecular Formular: C8H8FNO
• Molecular Mass: 153.1536232
• Monoisotopic Mass: 153.0589921
• SMILES: O1CC(c2ccc(cc12)F)N
• Canonical SMILES: Fc1ccc2c(c1)OCC2N
• InChI: InChI=1S/C8H8FNO/c9-5-1-2-6-7(10)4-11-8(6)3-5/h1-3,7H,4,10H2
• InChIKey: VPNZYZSGRZXDBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoro-2,3-dihydro-1-benzofuran-3-amine
• IUPAC Traditional name: 6-fluoro-2,3-dihydro-1-benzofuran-3-amine
• Synonyms: 6-FLUORO-2,3-DIHYDRO-1-BENZOFURAN-3-AMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8112609
• LogD (pH = 7.4): -0.28716716
• Log P: 0.97228706
• Molar Refractivity: 38.9122 cm^3
• Polarizability: 15.156783 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%