5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]aniline

• ChemBase ID: 19954
• Molecular Formular: C11H16FNO3
• Molecular Mass: 229.2480432
• Monoisotopic Mass: 229.1114216
• SMILES: c1(cc(ccc1OCCOCCOC)F)N
• Canonical SMILES: COCCOCCOc1ccc(cc1N)F
• InChI: InChI=1S/C11H16FNO3/c1-14-4-5-15-6-7-16-11-3-2-9(12)8-10(11)13/h2-3,8H,4-7,13H2,1H3
• InChIKey: JHGCRCDVCGXMIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]aniline
• IUPAC Traditional name: 5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]aniline
• Synonyms: 5-Fluoro-2-[2-(2-methoxyethoxy)ethoxy]aniline

Database IDs

• MDL Number: MFCD08687840
• PubChem SID: 160983261
• PubChem CID: 26189630

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.0333712
• LogD (pH = 7.4): 1.0353739
• Log P: 1.0353996
• Molar Refractivity: 59.525 cm^3
• Polarizability: 22.464947 Å^3
• Polar Surface Area: 53.71 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false