2-(4-fluorophenoxy)-2-methylpropanoyl chloride

• ChemBase ID: 56761
• Molecular Formular: C10H10ClFO2
• Molecular Mass: 216.6366032
• Monoisotopic Mass: 216.03533546
• SMILES: C(C(=O)Cl)(Oc1ccc(F)cc1)(C)C
• Canonical SMILES: ClC(=O)C(Oc1ccc(cc1)F)(C)C
• InChI: InChI=1S/C10H10ClFO2/c1-10(2,9(11)13)14-8-5-3-7(12)4-6-8/h3-6H,1-2H3
• InChIKey: BAZSCNDLRZMBRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11939667
• PubChem SID: 162061524
• PubChem CID: 20385229

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9711196
• LogD (pH = 7.4): 2.9711196
• Log P: 2.9711196
• Molar Refractivity: 51.8879 cm^3
• Polarizability: 20.05688 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