2-fluoro-6-phenoxyaniline

• ChemBase ID: 271717
• Molecular Formular: C12H10FNO
• Molecular Mass: 203.2123032
• Monoisotopic Mass: 203.07464217
• SMILES: c1(c(Oc2ccccc2)cccc1F)N
• Canonical SMILES: Nc1c(cccc1F)Oc1ccccc1
• InChI: InChI=1S/C12H10FNO/c13-10-7-4-8-11(12(10)14)15-9-5-2-1-3-6-9/h1-8H,14H2
• InChIKey: MHTMDGVOUBERRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-6-phenoxyaniline
• IUPAC Traditional name: 2-fluoro-6-phenoxyaniline
• Synonyms: 2-fluoro-6-phenoxyaniline

Database IDs

• MDL Number: MFCD12149632
• PubChem SID: 164327627
• PubChem CID: 50989654

CALCULATED PROPERTIES

• Acid pKa: 15.897137
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.7872741
• LogD (pH = 7.4): 2.7873085
• Log P: 2.787309
• Molar Refractivity: 57.2156 cm^3
• Polarizability: 21.447926 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 51 - 53°C
• Hydrophobicity(logP): 3.536

Product Information

• Purity: 95%