(pentafluorophenyl)methyl 2-methylprop-2-enoate

• ChemBase ID: 98433
• Molecular Formular: C11H7F5O2
• Molecular Mass: 266.164096
• Monoisotopic Mass: 266.03662056
• SMILES: Fc1c(c(c(c(c1F)F)F)F)COC(=O)C(=C)C
• Canonical SMILES: O=C(C(=C)C)OCc1c(F)c(F)c(c(c1F)F)F
• InChI: InChI=1S/C11H7F5O2/c1-4(2)11(17)18-3-5-6(12)8(14)10(16)9(15)7(5)13/h1,3H2,2H3
• InChIKey: DSESELHEBRQXBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (pentafluorophenyl)methyl 2-methylprop-2-enoate
• IUPAC Traditional name: (pentafluorophenyl)methyl 2-methylprop-2-enoate
• Synonyms: Pentafluorobenzyl methacrylate 97%

Database IDs

• MDL Number: MFCD00042329
• PubChem SID: 162084864
• PubChem CID: 2775936

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.745708
• LogD (pH = 7.4): 3.745708
• Log P: 3.745708
• Molar Refractivity: 52.1122 cm^3
• Polarizability: 19.084436 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Flammable/Keep Cold