5-fluoro-2-phenoxyaniline

• ChemBase ID: 19972
• Molecular Formular: C12H10FNO
• Molecular Mass: 203.2123032
• Monoisotopic Mass: 203.07464217
• SMILES: c1(c(cc(cc1)F)N)Oc1ccccc1
• Canonical SMILES: Fc1ccc(c(c1)N)Oc1ccccc1
• InChI: InChI=1S/C12H10FNO/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-8H,14H2
• InChIKey: RMYDPTVQMJEGLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-2-phenoxyaniline
• IUPAC Traditional name: 5-fluoro-2-phenoxyaniline
• Synonyms: 5-Fluoro-2-phenoxyaniline

Database IDs

• MDL Number: MFCD08687879
• PubChem SID: 160983279
• PubChem CID: 19627132

CALCULATED PROPERTIES

• Acid pKa: 19.13296
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.7871764
• LogD (pH = 7.4): 2.7873073
• Log P: 2.787309
• Molar Refractivity: 57.2156 cm^3
• Polarizability: 21.446644 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.616

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%