2-(2,4-difluorophenoxy)-2-methylpropanoyl chloride

• ChemBase ID: 56739
• Molecular Formular: C10H9ClF2O2
• Molecular Mass: 234.6270664
• Monoisotopic Mass: 234.02591365
• SMILES: C(Oc1c(cc(cc1)F)F)(C(=O)Cl)(C)C
• Canonical SMILES: Fc1ccc(c(c1)F)OC(C(=O)Cl)(C)C
• InChI: InChI=1S/C10H9ClF2O2/c1-10(2,9(11)14)15-8-4-3-6(12)5-7(8)13/h3-5H,1-2H3
• InChIKey: DCKQLPCCVQGVPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12197856
• PubChem SID: 162061502
• PubChem CID: 46779602

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1138215
• LogD (pH = 7.4): 3.1138215
• Log P: 3.1138215
• Molar Refractivity: 52.1043 cm^3
• Polarizability: 19.868502 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false