1-[4-(1-chloropropyl)phenyl]-2-fluorobenzene

• ChemBase ID: 96542
• Molecular Formular: C15H14ClF
• Molecular Mass: 248.7230632
• Monoisotopic Mass: 248.07680635
• SMILES: Fc1ccccc1c1ccc(cc1)C(Cl)CC
• Canonical SMILES: CCC(c1ccc(cc1)c1ccccc1F)Cl
• InChI: InChI=1S/C15H14ClF/c1-2-14(16)12-9-7-11(8-10-12)13-5-3-4-6-15(13)17/h3-10,14H,2H2,1H3
• InChIKey: SFMPWSFPVQMJEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(1-chloropropyl)phenyl]-2-fluorobenzene
• IUPAC Traditional name: 1-[4-(1-chloropropyl)phenyl]-2-fluorobenzene
• Synonyms: 4-(1-chloropropyl)-2'-fluoro-1,1'-biphenyl

Database IDs

• MDL Number: MFCD00662443
• PubChem SID: 162083191
• PubChem CID: 2781685

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.2895126
• LogD (pH = 7.4): 5.2895126
• Log P: 5.2895126
• Molar Refractivity: 70.2203 cm^3
• Polarizability: 28.276869 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false