5-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine

• ChemBase ID: 808641
• Molecular Formular: C10H12FN
• Molecular Mass: 165.2073832
• Monoisotopic Mass: 165.09537761
• SMILES: NC1c2cccc(c2CCC1)F
• Canonical SMILES: NC1CCCc2c1cccc2F
• InChI: InChI=1S/C10H12FN/c11-9-5-1-4-8-7(9)3-2-6-10(8)12/h1,4-5,10H,2-3,6,12H2
• InChIKey: YQYUGHNOJHWIJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine
• IUPAC Traditional name: 5-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine
• Synonyms: 5-FLUORO-1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-YLAMINE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.7674507
• LogD (pH = 7.4): 0.08144668
• Log P: 2.230509
• Molar Refractivity: 46.9296 cm^3
• Polarizability: 18.058723 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%