1-ethoxy-3-fluorobenzene

• ChemBase ID: 100383
• Molecular Formular: C8H9FO
• Molecular Mass: 140.1548632
• Monoisotopic Mass: 140.06374313
• SMILES: O(c1cc(ccc1)F)CC
• Canonical SMILES: CCOc1cccc(c1)F
• InChI: InChI=1S/C8H9FO/c1-2-10-8-5-3-4-7(9)6-8/h3-6H,2H2,1H3
• InChIKey: UWWCZZMOTBWUAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethoxy-3-fluorobenzene
• IUPAC Traditional name: phenetole, M-fluoro-
• Synonyms: 3-Fluorophenetole

Database IDs

• MDL Number: MFCD00673011
• PubChem SID: 162086386
• PubChem CID: 136301

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3150845
• LogD (pH = 7.4): 2.3150845
• Log P: 2.3150845
• Molar Refractivity: 37.4862 cm^3
• Polarizability: 14.348974 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant