6-fluoro-2,3-dihydro-1H-inden-1-ol

• ChemBase ID: 286218
• Molecular Formular: C9H9FO
• Molecular Mass: 152.1655632
• Monoisotopic Mass: 152.06374313
• SMILES: c12c(CCC2O)ccc(c1)F
• Canonical SMILES: Fc1ccc2c(c1)C(O)CC2
• InChI: InChI=1S/C9H9FO/c10-7-3-1-6-2-4-9(11)8(6)5-7/h1,3,5,9,11H,2,4H2
• InChIKey: CLUAHEPQMQFYFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoro-2,3-dihydro-1H-inden-1-ol
• IUPAC Traditional name: 6-fluoro-2,3-dihydro-1H-inden-1-ol
• Synonyms: 6-fluoro-2,3-dihydro-1H-inden-1-ol

Database IDs

• MDL Number: MFCD11219504
• PubChem SID: 180671749
• PubChem CID: 61383499

CALCULATED PROPERTIES

• Acid pKa: 14.346043
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.8928223
• LogD (pH = 7.4): 1.8928221
• Log P: 1.8928223
• Molar Refractivity: 40.6711 cm^3
• Polarizability: 15.328576 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 41 - 43°C
• Hydrophobicity(logP): 1.661

Product Information

• Purity: 95%