2-fluoro-4-(propan-2-yloxy)aniline

• ChemBase ID: 265311
• Molecular Formular: C9H12FNO
• Molecular Mass: 169.1960832
• Monoisotopic Mass: 169.09029223
• SMILES: c1(cc(OC(C)C)ccc1N)F
• Canonical SMILES: CC(Oc1ccc(c(c1)F)N)C
• InChI: InChI=1S/C9H12FNO/c1-6(2)12-7-3-4-9(11)8(10)5-7/h3-6H,11H2,1-2H3
• InChIKey: BUPRTGYJYJWLSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-4-(propan-2-yloxy)aniline
• IUPAC Traditional name: 2-fluoro-4-isopropoxyaniline
• Synonyms: 2-fluoro-4-(propan-2-yloxy)aniline

Database IDs

• MDL Number: MFCD15209543
• PubChem SID: 164321221
• PubChem CID: 3756384

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.90059
• LogD (pH = 7.4): 1.9027065
• Log P: 1.9027336
• Molar Refractivity: 46.6054 cm^3
• Polarizability: 17.338667 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.116

Product Information

• Purity: 95%