7-fluoro-2,3-dihydro-1H-inden-4-ol

• ChemBase ID: 53436
• Molecular Formular: C9H9FO
• Molecular Mass: 152.1655632
• Monoisotopic Mass: 152.06374313
• SMILES: c12c(c(ccc1F)O)CCC2
• Canonical SMILES: Oc1ccc(c2c1CCC2)F
• InChI: InChI=1S/C9H9FO/c10-8-4-5-9(11)7-3-1-2-6(7)8/h4-5,11H,1-3H2
• InChIKey: MBECZUQIIUUOTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-fluoro-2,3-dihydro-1H-inden-4-ol
• IUPAC Traditional name: 7-fluoro-2,3-dihydro-1H-inden-4-ol
• Synonyms: 7-Fluoro-2,3-dihydro-1H-inden-4-ol

Database IDs

• CAS Number: 161178-24-1; 161178-24-1
• MDL Number: MFCD17167331
• PubChem SID: 162058199
• PubChem CID: 15342072

CALCULATED PROPERTIES

• Acid pKa: 9.632918
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.8200362
• LogD (pH = 7.4): 2.817549
• Log P: 2.820068
• Molar Refractivity: 41.1365 cm^3
• Polarizability: 15.247456 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%