2-(4-fluorophenoxy)propanoyl chloride

• ChemBase ID: 56305
• Molecular Formular: C9H8ClFO2
• Molecular Mass: 202.6100232
• Monoisotopic Mass: 202.0196854
• SMILES: C(=O)(C(Oc1ccc(F)cc1)C)Cl
• Canonical SMILES: CC(C(=O)Cl)Oc1ccc(cc1)F
• InChI: InChI=1S/C9H8ClFO2/c1-6(9(10)12)13-8-4-2-7(11)3-5-8/h2-6H,1H3
• InChIKey: LCJOOCNFGDOZGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenoxy)propanoyl chloride
• IUPAC Traditional name: 2-(4-fluorophenoxy)propanoyl chloride
• Synonyms: 2-(4-Fluorophenoxy)propanoyl chloride

Database IDs

• MDL Number: MFCD02295758
• PubChem SID: 162061068
• PubChem CID: 46779221

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5383537
• LogD (pH = 7.4): 2.5383537
• Log P: 2.5383537
• Molar Refractivity: 47.1746 cm^3
• Polarizability: 18.238024 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