5,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-amine

• ChemBase ID: 808652
• Molecular Formular: C10H11F2N
• Molecular Mass: 183.1978464
• Monoisotopic Mass: 183.0859558
• SMILES: NC1c2c(ccc(c2CCC1)F)F
• Canonical SMILES: NC1CCCc2c1c(F)ccc2F
• InChI: InChI=1S/C10H11F2N/c11-7-4-5-8(12)10-6(7)2-1-3-9(10)13/h4-5,9H,1-3,13H2
• InChIKey: LTINDRIQDKPRIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-amine
• IUPAC Traditional name: 5,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-amine
• Synonyms: 5,8-DIFLUORO-1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-YLAMINE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.56569976
• LogD (pH = 7.4): 0.6391392
• Log P: 2.3732111
• Molar Refractivity: 47.146 cm^3
• Polarizability: 17.765097 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%