2,3,5,6-tetrafluoro-4-{2-[4-(fluorooxy)phenyl]propan-2-yl}phenyl hypofluorite

• ChemBase ID: 179970
• Molecular Formular: C15H10F6O2
• Molecular Mass: 336.2291192
• Monoisotopic Mass: 336.05849888
• SMILES: O(c1ccc(C(c2c(c(c(OF)c(c2F)F)F)F)(C)C)cc1)F
• Canonical SMILES: FOc1ccc(cc1)C(c1c(F)c(F)c(c(c1F)F)OF)(C)C
• InChI: InChI=1S/C15H10F6O2/c1-15(2,7-3-5-8(22-20)6-4-7)9-10(16)12(18)14(23-21)13(19)11(9)17/h3-6H,1-2H3
• InChIKey: VLYPISSDYLESJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,5,6-tetrafluoro-4-{2-[4-(fluorooxy)phenyl]propan-2-yl}phenyl hypofluorite
• IUPAC Traditional name: 2,3,5,6-tetrafluoro-4-{2-[4-(fluorooxy)phenyl]propan-2-yl}phenyl hypofluorite
• Synonyms: Hexafluoro bisphenol A

Database IDs

• CAS Number: 1478-61-1
• PubChem SID: 164235880
• PubChem CID: 19782796

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.4094696
• LogD (pH = 7.4): 5.4094696
• Log P: 5.4094696
• Molar Refractivity: 80.7145 cm^3
• Polarizability: 25.450087 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false