5-fluoro-2-(2-propoxyethoxy)aniline

• ChemBase ID: 19971
• Molecular Formular: C11H16FNO2
• Molecular Mass: 213.2486432
• Monoisotopic Mass: 213.11650698
• SMILES: c1(cc(ccc1OCCOCCC)F)N
• Canonical SMILES: CCCOCCOc1ccc(cc1N)F
• InChI: InChI=1S/C11H16FNO2/c1-2-5-14-6-7-15-11-4-3-9(12)8-10(11)13/h3-4,8H,2,5-7,13H2,1H3
• InChIKey: VDQFENSJECUEHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-2-(2-propoxyethoxy)aniline
• IUPAC Traditional name: 5-fluoro-2-(2-propoxyethoxy)aniline
• Synonyms: 5-Fluoro-2-(2-propoxyethoxy)aniline

Database IDs

• MDL Number: MFCD08687925
• PubChem SID: 160983278
• PubChem CID: 26189646

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.9591826
• LogD (pH = 7.4): 1.9616735
• Log P: 1.9617053
• Molar Refractivity: 57.7541 cm^3
• Polarizability: 21.730211 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false