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

• ChemBase ID: 180423
• Molecular Formular: C9H10FN
• Molecular Mass: 151.1808032
• Monoisotopic Mass: 151.07972755
• SMILES: C1NCCc2cc(ccc12)F
• Canonical SMILES: Fc1ccc2c(c1)CCNC2
• InChI: InChI=1S/C9H10FN/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-2,5,11H,3-4,6H2
• InChIKey: IGFFEMNFESMQQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 224161-37-9
• MDL Number: MFCD06739157
• PubChem SID: 164236333
• PubChem CID: 15718724

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

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.738

Product Information

• Purity: 95%; 98%