1,2,4,5-tetrafluoro-3-pentafluorophenoxy-6-(2,3,5,6-tetrafluoro-4-pentafluorophenoxyphenyl)benzene

• ChemBase ID: 99184
• Molecular Formular: C24F18O2
• Molecular Mass: 662.2268576
• Monoisotopic Mass: 661.9610872
• SMILES: Fc1c(c(c(c(c1F)Oc1c(c(c(c(c1F)F)F)F)F)F)F)c1c(c(c(c(c1F)F)Oc1c(c(c(c(c1F)F)F)F)F)F)F
• Canonical SMILES: Fc1c(c2c(F)c(F)c(c(c2F)F)Oc2c(F)c(F)c(c(c2F)F)F)c(F)c(c(c1F)Oc1c(F)c(F)c(c(c1F)F)F)F
• InChI: InChI=1S/C24F18O2/c25-3-1(4(26)14(36)21(13(3)35)43-23-17(39)9(31)7(29)10(32)18(23)40)2-5(27)15(37)22(16(38)6(2)28)44-24-19(41)11(33)8(30)12(34)20(24)42
• InChIKey: DMZNIFIKQOFWLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,4,5-tetrafluoro-3-pentafluorophenoxy-6-(2,3,5,6-tetrafluoro-4-pentafluorophenoxyphenyl)benzene
• IUPAC Traditional name: 1,2,4,5-tetrafluoro-3-pentafluorophenoxy-6-(2,3,5,6-tetrafluoro-4-pentafluorophenoxyphenyl)benzene
• Synonyms: 4,4'-Bis(pentafluorophenoxy)octafluorobiphenyl; Perfluoro(4,4'-diphenoxybiphenyl)

Database IDs

• PubChem SID: 162105272
• PubChem CID: 45075730

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 9.18968
• LogD (pH = 7.4): 9.18968
• Log P: 9.18968
• Molar Refractivity: 107.571 cm^3
• Polarizability: 39.19848 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: >110°C

Safety Information

• Storage Warning: Irritant