5-fluoro-2-(2-phenylphenoxy)aniline

• ChemBase ID: 19978
• Molecular Formular: C18H14FNO
• Molecular Mass: 279.3082632
• Monoisotopic Mass: 279.10594229
• SMILES: O(c1c(c2ccccc2)cccc1)c1c(cc(cc1)F)N
• Canonical SMILES: Fc1ccc(c(c1)N)Oc1ccccc1c1ccccc1
• InChI: InChI=1S/C18H14FNO/c19-14-10-11-18(16(20)12-14)21-17-9-5-4-8-15(17)13-6-2-1-3-7-13/h1-12H,20H2
• InChIKey: SRQQZVKAGCEJDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-2-(2-phenylphenoxy)aniline
• IUPAC Traditional name: 5-fluoro-2-(2-phenylphenoxy)aniline
• Synonyms: 2-([1,1'-Biphenyl]-2-yloxy)-5-fluoroaniline

Database IDs

• MDL Number: MFCD08686936
• PubChem SID: 160983285
• PubChem CID: 26189652

CALCULATED PROPERTIES

• Acid pKa: 19.120111
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.43435
• LogD (pH = 7.4): 4.434532
• Log P: 4.4345345
• Molar Refractivity: 82.3518 cm^3
• Polarizability: 32.429867 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false