4-(2-fluorophenoxy)aniline

• ChemBase ID: 20121
• Molecular Formular: C12H10FNO
• Molecular Mass: 203.2123032
• Monoisotopic Mass: 203.07464217
• SMILES: c1(Oc2ccc(N)cc2)c(F)cccc1
• Canonical SMILES: Nc1ccc(cc1)Oc1ccccc1F
• InChI: InChI=1S/C12H10FNO/c13-11-3-1-2-4-12(11)15-10-7-5-9(14)6-8-10/h1-8H,14H2
• InChIKey: XOTBQGILYQQOKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-fluorophenoxy)aniline
• IUPAC Traditional name: 4-(2-fluorophenoxy)aniline
• Synonyms: 4-(2-Fluorophenoxy)aniline

Database IDs

• CAS Number: 305801-12-1
• MDL Number: MFCD02663348
• PubChem SID: 160983428
• PubChem CID: 5126073

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.771568
• LogD (pH = 7.4): 2.7871072
• Log P: 2.787309
• Molar Refractivity: 57.2156 cm^3
• Polarizability: 21.444447 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