2,4-difluoro-1-propoxybenzene

• ChemBase ID: 96556
• Molecular Formular: C9H10F2O
• Molecular Mass: 172.1719064
• Monoisotopic Mass: 172.06997138
• SMILES: Fc1cc(ccc1OCCC)F
• Canonical SMILES: CCCOc1ccc(cc1F)F
• InChI: InChI=1S/C9H10F2O/c1-2-5-12-9-4-3-7(10)6-8(9)11/h3-4,6H,2,5H2,1H3
• InChIKey: ALRJBMLLALWBCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-difluoro-1-propoxybenzene
• IUPAC Traditional name: 2,4-difluoro-1-propoxybenzene
• Synonyms: 2,4-difluoro-1-propoxybenzene

Database IDs

• MDL Number: MFCD01571111
• PubChem SID: 162083205
• PubChem CID: 2781708

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.9803088
• LogD (pH = 7.4): 2.9803088
• Log P: 2.9803088
• Molar Refractivity: 42.2266 cm^3
• Polarizability: 15.928156 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true