(2S)-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-amine hydrochloride

• ChemBase ID: 811240
• Molecular Formular: C10H13ClFN
• Molecular Mass: 201.6683232
• Monoisotopic Mass: 201.07205532
• SMILES: Cl.N[C@H]1CCc2c(ccc(c2)F)C1
• Canonical SMILES: N[C@H]1CCc2c(C1)ccc(c2)F.Cl
• InChI: InChI=1S/C10H12FN.ClH/c11-9-3-1-8-6-10(12)4-2-7(8)5-9;/h1,3,5,10H,2,4,6,12H2;1H/t10-;/m0./s1
• InChIKey: ISIVAXAVZRQAGJ-PPHPATTJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-amine hydrochloride
• IUPAC Traditional name: (2S)-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-amine hydrochloride
• Synonyms: (S)-6-FLUORO-1,2,3,4-TETRAHYDRO-NAPHTHALEN-2-YL-AMINE HCL

Database IDs

• CAS Number: 173996-44-6

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.94514245
• LogD (pH = 7.4): -0.41714138
• Log P: 2.0746017
• Molar Refractivity: 47.0836 cm^3
• Polarizability: 17.983194 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%