2-(2-fluorophenoxy)aniline

• ChemBase ID: 19511
• Molecular Formular: C12H10FNO
• Molecular Mass: 203.2123032
• Monoisotopic Mass: 203.07464217
• SMILES: O(c1c(N)cccc1)c1c(F)cccc1
• Canonical SMILES: Nc1ccccc1Oc1ccccc1F
• InChI: InChI=1S/C12H10FNO/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1-8H,14H2
• InChIKey: FMHXQFVNBSTBQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-fluorophenoxy)aniline
• IUPAC Traditional name: 2-(2-fluorophenoxy)aniline
• Synonyms: 2-(2-Fluorophenoxy)aniline

Database IDs

• CAS Number: 391906-76-6
• MDL Number: MFCD04970974
• PubChem SID: 160982818
• PubChem CID: 17605468

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.7864347
• LogD (pH = 7.4): 2.787298
• Log P: 2.787309
• Molar Refractivity: 57.2156 cm^3
• Polarizability: 21.446459 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false