4-fluoro-1H-indol-6-amine

• ChemBase ID: 293229
• Molecular Formular: C8H7FN2
• Molecular Mass: 150.1529832
• Monoisotopic Mass: 150.05932645
• SMILES: Nc1cc2c(c(F)c1)cc[nH]2
• Canonical SMILES: Nc1cc(F)c2c(c1)[nH]cc2
• InChI: InChI=1S/C8H7FN2/c9-7-3-5(10)4-8-6(7)1-2-11-8/h1-4,11H,10H2
• InChIKey: RCBICGWTJATNNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-1H-indol-6-amine
• IUPAC Traditional name: 4-fluoro-1H-indol-6-amine
• Synonyms: 4-Fluoro-1H-indol-6-amine

Database IDs

• CAS Number: 885518-26-3
• MDL Number: MFCD07357295
• PubChem SID: 180678760
• PubChem CID: 24728023

CALCULATED PROPERTIES

• Acid pKa: 16.815447
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 1.3852818
• LogD (pH = 7.4): 1.3857775
• Log P: 1.3857838
• Molar Refractivity: 42.0613 cm^3
• Polarizability: 16.315975 Å^3
• Polar Surface Area: 41.81 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%