1-fluoro-2-[2-(2-fluorophenyl)ethyl]benzene

• ChemBase ID: 291182
• Molecular Formular: C14H12F2
• Molecular Mass: 218.2418864
• Monoisotopic Mass: 218.09070682
• SMILES: Fc1ccccc1CCc1ccccc1F
• Canonical SMILES: Fc1ccccc1CCc1ccccc1F
• InChI: InChI=1S/C14H12F2/c15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16/h1-8H,9-10H2
• InChIKey: DCGNAMWRLBRLFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-fluoro-2-[2-(2-fluorophenyl)ethyl]benzene
• IUPAC Traditional name: 1-fluoro-2-[2-(2-fluorophenyl)ethyl]benzene
• Synonyms: 1,2-Bis(2-fluorophenyl)ethane

Database IDs

• CAS Number: 349-38-2
• MDL Number: MFCD15143587
• PubChem SID: 180676713
• PubChem CID: 11138573

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.7950125
• LogD (pH = 7.4): 4.7950125
• Log P: 4.7950125
• Molar Refractivity: 60.829 cm^3
• Polarizability: 22.757963 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%