1-(4-ethylphenyl)-3-fluorobenzene

• ChemBase ID: 289996
• Molecular Formular: C14H13F
• Molecular Mass: 200.2514232
• Monoisotopic Mass: 200.10012864
• SMILES: Fc1cc(c2ccc(CC)cc2)ccc1
• Canonical SMILES: CCc1ccc(cc1)c1cccc(c1)F
• InChI: InChI=1S/C14H13F/c1-2-11-6-8-12(9-7-11)13-4-3-5-14(15)10-13/h3-10H,2H2,1H3
• InChIKey: PPMFTZQIKICPIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-ethylphenyl)-3-fluorobenzene
• IUPAC Traditional name: 1-(4-ethylphenyl)-3-fluorobenzene
• Synonyms: 4'-Ethyl-3-fluoro-1,1'-biphenyl

Database IDs

• CAS Number: 948043-99-0
• PubChem SID: 180675527
• PubChem CID: 21432917

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.7211633
• LogD (pH = 7.4): 4.7211633
• Log P: 4.7211633
• Molar Refractivity: 61.0528 cm^3
• Polarizability: 24.599535 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%