4-(1,1,1,3,3,3-hexafluoro-2-{4-[(2-methylprop-2-enoyl)oxy]phenyl}propan-2-yl)phenyl 2-methylprop-2-enoate

• ChemBase ID: 100588
• Molecular Formular: C23H18F6O4
• Molecular Mass: 472.3770392
• Monoisotopic Mass: 472.11092838
• SMILES: FC(C(c1ccc(cc1)OC(=O)C(=C)C)(c1ccc(cc1)OC(=O)C(=C)C)C(F)(F)F)(F)F
• Canonical SMILES: O=C(C(=C)C)Oc1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)c1ccc(cc1)OC(=O)C(=C)C
• InChI: InChI=1S/C23H18F6O4/c1-13(2)19(30)32-17-9-5-15(6-10-17)21(22(24,25)26,23(27,28)29)16-7-11-18(12-8-16)33-20(31)14(3)4/h5-12H,1,3H2,2,4H3
• InChIKey: AAOHKRNFHQXDFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1,1,1,3,3,3-hexafluoro-2-{4-[(2-methylprop-2-enoyl)oxy]phenyl}propan-2-yl)phenyl 2-methylprop-2-enoate
• IUPAC Traditional name: 4-(1,1,1,3,3,3-hexafluoro-2-{4-[(2-methylprop-2-enoyl)oxy]phenyl}propan-2-yl)phenyl 2-methylprop-2-enoate
• Synonyms: 4,4'-(Hexafluoroisopropylidene)diphenyl dimethacrylate; 2,2-Bis(4-methacryloxyphenyl)-1,1,1,3,3,3-hexafluoropropane

Database IDs

• CAS Number: 108050-42-6
• MDL Number: MFCD00080522
• PubChem SID: 162086880
• PubChem CID: 2775006

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 7.3658357
• LogD (pH = 7.4): 7.3658357
• Log P: 7.3658357
• Molar Refractivity: 117.4527 cm^3
• Polarizability: 39.77355 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Flammable/Keep Cold