2-fluoro-9H-fluorene

• ChemBase ID: 8583
• Molecular Formular: C13H9F
• Molecular Mass: 184.2089632
• Monoisotopic Mass: 184.06882851
• SMILES: c12c3c(Cc1cc(cc2)F)cccc3
• Canonical SMILES: Fc1ccc2c(c1)Cc1c2cccc1
• InChI: InChI=1S/C13H9F/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2
• InChIKey: SAKIZQTUUCRVJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-9H-fluorene
• IUPAC Traditional name: 2-fluoro-9H-fluorene
• Synonyms: 2-Fluorofluorene 97%; 2-Fluorofluorene

Database IDs

• CAS Number: 343-43-1
• MDL Number: MFCD00031477
• PubChem SID: 160971890
• PubChem CID: 241132

CALCULATED PROPERTIES

• Polarizability: 22.003328 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 17.147318
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.8817213
• LogD (pH = 7.4): 3.8817213
• Log P: 3.8817213
• Molar Refractivity: 55.0898 cm^3

PROPERTIES

Physical Property

• Melting Point: 98°C

Safety Information

• Storage Warning: Irritant
• TSCA Listed: false

Product Information

• Purity: 97%