5-(2,6-difluorophenyl)-2-(trifluoromethyl)furan-3-carbonyl chloride

• ChemBase ID: 99007
• Molecular Formular: C12H4ClF5O2
• Molecular Mass: 310.603976
• Monoisotopic Mass: 309.98199815
• SMILES: o1c(cc(c1C(F)(F)F)C(=O)Cl)c1c(cccc1F)F
• Canonical SMILES: Fc1cccc(c1c1cc(c(o1)C(F)(F)F)C(=O)Cl)F
• InChI: InChI=1S/C12H4ClF5O2/c13-11(19)5-4-8(20-10(5)12(16,17)18)9-6(14)2-1-3-7(9)15/h1-4H
• InChIKey: UGHIHEBNSOTACX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2,6-difluorophenyl)-2-(trifluoromethyl)furan-3-carbonyl chloride
• IUPAC Traditional name: 5-(2,6-difluorophenyl)-2-(trifluoromethyl)furan-3-carbonyl chloride
• Synonyms: 5-(2,6-Difluorophenyl)-2-(trifluoromethyl)furan-3-carbonyl chloride 95+%

Database IDs

• MDL Number: MFCD01313828
• PubChem SID: 162085309
• PubChem CID: 2737063

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.9548838
• LogD (pH = 7.4): 3.9548838
• Log P: 3.9548838
• Molar Refractivity: 60.9838 cm^3
• Polarizability: 22.834461 Å^3
• Polar Surface Area: 30.21 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant