1-(difluoromethoxy)-4-fluorobenzene

• ChemBase ID: 248492
• Molecular Formular: C7H5F3O
• Molecular Mass: 162.1092096
• Monoisotopic Mass: 162.02924944
• SMILES: C(Oc1ccc(F)cc1)(F)F
• Canonical SMILES: FC(Oc1ccc(cc1)F)F
• InChI: InChI=1S/C7H5F3O/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4,7H
• InChIKey: YCHCTKYETOOKMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(difluoromethoxy)-4-fluorobenzene
• IUPAC Traditional name: 1-(difluoromethoxy)-4-fluorobenzene
• Synonyms: 1-(difluoromethoxy)-4-fluorobenzene

Database IDs

• MDL Number: MFCD13194316
• PubChem SID: 164304402
• PubChem CID: 23539866

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.8850348
• LogD (pH = 7.4): 2.8850348
• Log P: 2.8850348
• Molar Refractivity: 32.7465 cm^3
• Polarizability: 12.240617 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.79

Product Information

• Purity: 95%