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

• ChemBase ID: 283901
• Molecular Formular: C10H11FO
• Molecular Mass: 166.1921432
• Monoisotopic Mass: 166.07939319
• SMILES: c12c(cc(cc1)F)CCCC2O
• Canonical SMILES: Fc1ccc2c(c1)CCCC2O
• InChI: InChI=1S/C10H11FO/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h4-6,10,12H,1-3H2
• InChIKey: MGGXOEPZSHISLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD15478834
• PubChem SID: 180669432
• PubChem CID: 12694917

CALCULATED PROPERTIES

• Acid pKa: 14.448347
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.337391
• LogD (pH = 7.4): 2.337391
• Log P: 2.337391
• Molar Refractivity: 45.2721 cm^3
• Polarizability: 17.162859 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.22

Product Information

• Purity: 95%