1,2-difluoro-3-(4-propylphenyl)benzene

• ChemBase ID: 797565
• Molecular Formular: C15H14F2
• Molecular Mass: 232.2684664
• Monoisotopic Mass: 232.10635689
• SMILES: c1c(c(c(cc1)c1ccc(cc1)CCC)F)F
• Canonical SMILES: CCCc1ccc(cc1)c1cccc(c1F)F
• InChI: InChI=1S/C15H14F2/c1-2-4-11-7-9-12(10-8-11)13-5-3-6-14(16)15(13)17/h3,5-10H,2,4H2,1H3
• InChIKey: YNBZINBCLJAJFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-difluoro-3-(4-propylphenyl)benzene
• IUPAC Traditional name: 1,2-difluoro-3-(4-propylphenyl)benzene
• Synonyms: 2,3-Difluoro-4'-propyl-1,1'-biphenyl

Database IDs

• CAS Number: 126163-02-8

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: 26.021946 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 97%