1,3-difluoro-5-(4-propylphenyl)benzene

• ChemBase ID: 288969
• Molecular Formular: C15H14F2
• Molecular Mass: 232.2684664
• Monoisotopic Mass: 232.10635689
• SMILES: CCCc1ccc(c2cc(F)cc(F)c2)cc1
• Canonical SMILES: CCCc1ccc(cc1)c1cc(F)cc(c1)F
• InChI: InChI=1S/C15H14F2/c1-2-3-11-4-6-12(7-5-11)13-8-14(16)10-15(17)9-13/h4-10H,2-3H2,1H3
• InChIKey: MSYHVNATNGNOOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-difluoro-5-(4-propylphenyl)benzene
• IUPAC Traditional name: 1,3-difluoro-5-(4-propylphenyl)benzene
• Synonyms: 3',5'-Difluoro-4-propylbiphenyl

Database IDs

• CAS Number: 137528-87-1
• PubChem SID: 180674500
• PubChem CID: 15638753

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.3084335
• LogD (pH = 7.4): 5.3084335
• Log P: 5.3084335
• Molar Refractivity: 65.8702 cm^3
• Polarizability: 26.020185 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%