4-fluoronaphthalen-1-ol

• ChemBase ID: 61456
• Molecular Formular: C10H7FO
• Molecular Mass: 162.1603832
• Monoisotopic Mass: 162.04809306
• SMILES: c12c(c(ccc1F)O)cccc2
• Canonical SMILES: Fc1ccc(c2c1cccc2)O
• InChI: InChI=1S/C10H7FO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H
• InChIKey: QOJVIUUAFONRTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoronaphthalen-1-ol
• IUPAC Traditional name: 4-fluoronaphthalen-1-ol
• Synonyms: 1-Fluoro-4-hydroxynaphthalene; 4-Fluoro-1-naphthalenol; 4-Fluoro-1-naphthol.; 4-Fluoro-1-naphthalenol; 4-Fluoronaphthalen-1-ol

Database IDs

• CAS Number: 315-53-7
• MDL Number: MFCD10699695
• PubChem SID: 162027197
• PubChem CID: 10920830

CALCULATED PROPERTIES

• Acid pKa: 8.866195
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.8016734
• LogD (pH = 7.4): 2.7873528
• Log P: 2.8018591
• Molar Refractivity: 44.7055 cm^3
• Polarizability: 18.094019 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ethyl Acetate; Methanol
• Apperance: Pale Brown Solid

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false