2-(2,5-difluorophenyl)acetyl chloride

• ChemBase ID: 100643
• Molecular Formular: C8H5ClF2O
• Molecular Mass: 190.5745064
• Monoisotopic Mass: 189.9996989
• SMILES: O=C(Cc1c(ccc(c1)F)F)Cl
• Canonical SMILES: Fc1ccc(cc1CC(=O)Cl)F
• InChI: InChI=1S/C8H5ClF2O/c9-8(12)4-5-3-6(10)1-2-7(5)11/h1-3H,4H2
• InChIKey: LQGHDMOEOHWRGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-difluorophenyl)acetyl chloride
• IUPAC Traditional name: 2-(2,5-difluorophenyl)acetyl chloride
• Synonyms: 2,5-Difluorophenylacetyl chloride

Database IDs

• MDL Number: MFCD03424719
• PubChem SID: 162086887
• PubChem CID: 2758320

CALCULATED PROPERTIES

• Acid pKa: 12.601634
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4297276
• LogD (pH = 7.4): 2.429725
• Log P: 2.4297276
• Molar Refractivity: 41.6569 cm^3
• Polarizability: 15.498291 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive