7-fluoro-1H-indol-5-amine

• ChemBase ID: 63586
• Molecular Formular: C8H7FN2
• Molecular Mass: 150.1529832
• Monoisotopic Mass: 150.05932645
• SMILES: c12c(cc(cc1cc[nH]2)N)F
• Canonical SMILES: Nc1cc(F)c2c(c1)cc[nH]2
• InChI: InChI=1S/C8H7FN2/c9-7-4-6(10)3-5-1-2-11-8(5)7/h1-4,11H,10H2
• InChIKey: IBLGHVMLQMHMSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-fluoro-1H-indol-5-amine
• IUPAC Traditional name: 7-fluoro-1H-indol-5-amine
• Synonyms: 5-Amino-7-fluoro-1H-indole

Database IDs

• CAS Number: 926028-84-4
• MDL Number: MFCD12923890
• PubChem SID: 162029325
• PubChem CID: 57415830

CALCULATED PROPERTIES

• Acid pKa: 15.760868
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 1.3853782
• LogD (pH = 7.4): 1.3857787
• Log P: 1.3857838
• Molar Refractivity: 42.0613 cm^3
• Polarizability: 16.319036 Å^3
• Polar Surface Area: 41.81 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%