2-(2,4-difluorophenoxy)butanoyl chloride

• ChemBase ID: 56707
• Molecular Formular: C10H9ClF2O2
• Molecular Mass: 234.6270664
• Monoisotopic Mass: 234.02591365
• SMILES: O(c1c(cc(cc1)F)F)C(C(=O)Cl)CC
• Canonical SMILES: CCC(C(=O)Cl)Oc1ccc(cc1F)F
• InChI: InChI=1S/C10H9ClF2O2/c1-2-8(10(11)14)15-9-4-3-6(12)5-7(9)13/h3-5,8H,2H2,1H3
• InChIKey: HYUWDEJDNKJEID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,4-difluorophenoxy)butanoyl chloride
• IUPAC Traditional name: 2-(2,4-difluorophenoxy)butanoyl chloride
• Synonyms: 2-(2,4-Difluorophenoxy)butanoyl chloride

Database IDs

• MDL Number: MFCD12197825
• PubChem SID: 162061470
• PubChem CID: 46779582

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.203578
• LogD (pH = 7.4): 3.203578
• Log P: 3.203578
• Molar Refractivity: 51.915 cm^3
• Polarizability: 19.868397 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false