4-(3-fluorophenoxy)aniline

• ChemBase ID: 261456
• Molecular Formular: C12H10FNO
• Molecular Mass: 203.2123032
• Monoisotopic Mass: 203.07464217
• SMILES: c1c(Oc2ccc(N)cc2)cccc1F
• Canonical SMILES: Nc1ccc(cc1)Oc1cccc(c1)F
• InChI: InChI=1S/C12H10FNO/c13-9-2-1-3-12(8-9)15-11-6-4-10(14)5-7-11/h1-8H,14H2
• InChIKey: OHACTALIXWVZFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-fluorophenoxy)aniline
• IUPAC Traditional name: 4-(3-fluorophenoxy)aniline
• Synonyms: 4-(3-fluorophenoxy)aniline

Database IDs

• MDL Number: MFCD02663349
• PubChem SID: 164317366
• PubChem CID: 15453825

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.770161
• LogD (pH = 7.4): 2.7870889
• Log P: 2.787309
• Molar Refractivity: 57.2156 cm^3
• Polarizability: 21.444431 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 72 - 74°C
• Hydrophobicity(logP): 3.156

Product Information

• Purity: 95%