2-fluoro-5-(trifluoromethoxy)benzoyl chloride

• ChemBase ID: 98630
• Molecular Formular: C8H3ClF4O2
• Molecular Mass: 242.5548328
• Monoisotopic Mass: 241.9757699
• SMILES: ClC(=O)c1c(ccc(c1)OC(F)(F)F)F
• Canonical SMILES: ClC(=O)c1cc(ccc1F)OC(F)(F)F
• InChI: InChI=1S/C8H3ClF4O2/c9-7(14)5-3-4(1-2-6(5)10)15-8(11,12)13/h1-3H
• InChIKey: DMQPJSTXNSFZCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-5-(trifluoromethoxy)benzoyl chloride
• IUPAC Traditional name: 2-fluoro-5-(trifluoromethoxy)benzoyl chloride
• Synonyms: 2-Fluoro-5-(trifluoromethoxy)benzoyl chloride

Database IDs

• PubChem SID: 162105262
• PubChem CID: 5102551

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7379718
• LogD (pH = 7.4): 3.7379718
• Log P: 3.7379718
• Molar Refractivity: 40.4594 cm^3
• Polarizability: 16.206066 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive