2,4-difluorophenyl ethyl carbonate

• ChemBase ID: 112887
• Molecular Formular: C9H8F2O3
• Molecular Mass: 202.1548264
• Monoisotopic Mass: 202.04415056
• SMILES: C(=O)(Oc1c(cc(cc1)F)F)OCC
• Canonical SMILES: CCOC(=O)Oc1ccc(cc1F)F
• InChI: InChI=1S/C9H8F2O3/c1-2-13-9(12)14-8-4-3-6(10)5-7(8)11/h3-5H,2H2,1H3
• InChIKey: MBAMZRLDXCEBEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-difluorophenyl ethyl carbonate
• IUPAC Traditional name: 2,4-difluorophenyl ethyl carbonate
• Synonyms: Ethyl 2,4-difluorophenoxycarboxylate

Database IDs

• MDL Number: MFCD08443940
• PubChem SID: 162098267
• PubChem CID: 11138141

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8420098
• LogD (pH = 7.4): 2.8420098
• Log P: 2.8420098
• Molar Refractivity: 43.9954 cm^3
• Polarizability: 16.86243 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: Oil

Product Information

• Purity: >95%