5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-amine

• ChemBase ID: 808646
• Molecular Formular: C10H11F2N
• Molecular Mass: 183.1978464
• Monoisotopic Mass: 183.0859558
• SMILES: NC1c2cc(cc(c2CCC1)F)F
• Canonical SMILES: Fc1cc2C(N)CCCc2c(c1)F
• InChI: InChI=1S/C10H11F2N/c11-6-4-8-7(9(12)5-6)2-1-3-10(8)13/h4-5,10H,1-3,13H2
• InChIKey: CUGDJBUUTWZPCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-amine
• IUPAC Traditional name: 5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-amine
• Synonyms: 5,7-DIFLUORO-1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-YLAMINE

Database IDs

• CAS Number: 907973-46-0

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.6093532
• LogD (pH = 7.4): 0.37022972
• Log P: 2.3732111
• Molar Refractivity: 47.146 cm^3
• Polarizability: 17.764444 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%