4-fluoronaphthalen-1-amine

• ChemBase ID: 798159
• Molecular Formular: C10H8FN
• Molecular Mass: 161.1756232
• Monoisotopic Mass: 161.06407748
• SMILES: Nc1c2ccccc2c(cc1)F
• Canonical SMILES: Fc1ccc(c2c1cccc2)N
• InChI: InChI=1S/C10H8FN/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H,12H2
• InChIKey: OHGQJGPCYSDTGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoronaphthalen-1-amine
• IUPAC Traditional name: 4-fluoronaphthalen-1-amine
• Synonyms: 4-fluoro-1-naphthylamine

Database IDs

• CAS Number: 438-32-4

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.2712102
• LogD (pH = 7.4): 2.2764316
• Log P: 2.2764986
• Molar Refractivity: 47.425 cm^3
• Polarizability: 18.641247 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%