2-(3-fluorophenoxy)aniline

• ChemBase ID: 19525
• Molecular Formular: C12H10FNO
• Molecular Mass: 203.2123032
• Monoisotopic Mass: 203.07464217
• SMILES: O(c1c(N)cccc1)c1cc(F)ccc1
• Canonical SMILES: Fc1cccc(c1)Oc1ccccc1N
• InChI: InChI=1S/C12H10FNO/c13-9-4-3-5-10(8-9)15-12-7-2-1-6-11(12)14/h1-8H,14H2
• InChIKey: OIZHDJAXAOGJCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-fluorophenoxy)aniline
• IUPAC Traditional name: 2-(3-fluorophenoxy)aniline
• Synonyms: 2-(3-Fluorophenoxy)aniline

Database IDs

• MDL Number: MFCD04971079
• PubChem SID: 160982832
• PubChem CID: 19621403

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.7863474
• LogD (pH = 7.4): 2.7872968
• Log P: 2.787309
• Molar Refractivity: 57.2156 cm^3
• Polarizability: 21.446445 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.336

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%