6-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride

• ChemBase ID: 799695
• Molecular Formular: C9H11ClFN
• Molecular Mass: 187.6417432
• Monoisotopic Mass: 187.05640526
• SMILES: Cl.c1cc2c(cc1F)CCNC2
• Canonical SMILES: Fc1ccc2c(c1)CCNC2.Cl
• InChI: InChI=1S/C9H10FN.ClH/c10-9-2-1-8-6-11-4-3-7(8)5-9;/h1-2,5,11H,3-4,6H2;1H
• InChIKey: YXZXFMKDFFJUCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride
• IUPAC Traditional name: 6-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride
• Synonyms: 6-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride

Database IDs

• CAS Number: 799274-08-1

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3829999
• LogD (pH = 7.4): -0.024137788
• Log P: 1.7141851
• Molar Refractivity: 42.832 cm^3
• Polarizability: 16.216587 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true