(1S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-amine

• ChemBase ID: 808657
• Molecular Formular: C10H11F2N
• Molecular Mass: 183.1978464
• Monoisotopic Mass: 183.0859558
• SMILES: N[C@@H]1c2c(cc(cc2CCC1)F)F
• Canonical SMILES: Fc1cc2CCC[C@@H](c2c(c1)F)N
• InChI: InChI=1S/C10H11F2N/c11-7-4-6-2-1-3-9(13)10(6)8(12)5-7/h4-5,9H,1-3,13H2/t9-/m0/s1
• InChIKey: GTZDIEIDYINPIO-VIFPVBQESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-amine
• IUPAC Traditional name: (1S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-amine
• Synonyms: (1S)-6,8-DIFLUORO-1,2,3,4-TETRAHYDRONAPHTHYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.5817786
• LogD (pH = 7.4): 0.55584514
• Log P: 2.3732111
• Molar Refractivity: 47.146 cm^3
• Polarizability: 17.763374 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%