1-[4-chloro-1-(4-fluorophenyl)butyl]-4-fluorobenzene

• ChemBase ID: 122916
• Molecular Formular: C16H15ClF2
• Molecular Mass: 280.7401064
• Monoisotopic Mass: 280.0830346
• SMILES: c1(C(c2ccc(cc2)F)CCCCl)ccc(cc1)F
• Canonical SMILES: ClCCCC(c1ccc(cc1)F)c1ccc(cc1)F
• InChI: InChI=1S/C16H15ClF2/c17-11-1-2-16(12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-10,16H,1-2,11H2
• InChIKey: UXXLTPGCINZEFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-chloro-1-(4-fluorophenyl)butyl]-4-fluorobenzene
• IUPAC Traditional name: 1-[4-chloro-1-(4-fluorophenyl)butyl]-4-fluorobenzene
• Synonyms: 4,4'-(4-chlorobutane-1,1-diyl)bis(fluorobenzene)

Database IDs

• PubChem SID: 162217269
• PubChem CID: 76820

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.4445133
• LogD (pH = 7.4): 5.4445133
• Log P: 5.4445133
• Molar Refractivity: 74.9583 cm^3
• Polarizability: 28.348167 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false