6-fluoro-1,2,3,4-tetrahydronaphthalen-2-ol

• ChemBase ID: 811987
• Molecular Formular: C10H11FO
• Molecular Mass: 166.1921432
• Monoisotopic Mass: 166.07939319
• SMILES: c1cc2c(cc1F)CCC(C2)O
• Canonical SMILES: OC1CCc2c(C1)ccc(c2)F
• InChI: InChI=1S/C10H11FO/c11-9-3-1-8-6-10(12)4-2-7(8)5-9/h1,3,5,10,12H,2,4,6H2
• InChIKey: IMBGKSOCINJFCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoro-1,2,3,4-tetrahydronaphthalen-2-ol
• IUPAC Traditional name: 6-fluoro-1,2,3,4-tetrahydronaphthalen-2-ol
• Synonyms: 6-FLUORO-1,2,3,4-TETRAHYDRO-NAPHTHALEN-2-OL

Database IDs

• CAS Number: 85072-31-7

CALCULATED PROPERTIES

• Acid pKa: 15.150508
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.1814835
• LogD (pH = 7.4): 2.1814835
• Log P: 2.1814835
• Molar Refractivity: 45.4261 cm^3
• Polarizability: 17.09148 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%