5-fluoronaphthalen-1-ol

• ChemBase ID: 61498
• Molecular Formular: C10H7FO
• Molecular Mass: 162.1603832
• Monoisotopic Mass: 162.04809306
• SMILES: c12c(c(O)ccc2)cccc1F
• Canonical SMILES: Oc1cccc2c1cccc2F
• InChI: InChI=1S/C10H7FO/c11-9-5-1-4-8-7(9)3-2-6-10(8)12/h1-6,12H
• InChIKey: KMQITEWKYHQQHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoronaphthalen-1-ol
• IUPAC Traditional name: 5-fluoronaphthalen-1-ol
• Synonyms: 5-Fluoronaphthalen-1-ol

Database IDs

• CAS Number: 61761-32-8
• MDL Number: MFCD12401609
• PubChem SID: 162027239
• PubChem CID: 12336391

CALCULATED PROPERTIES

• Acid pKa: 9.473007
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.8018134
• LogD (pH = 7.4): 2.7982268
• Log P: 2.8018591
• Molar Refractivity: 44.7055 cm^3
• Polarizability: 18.093765 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