tetrakis(2,3,5,6-tetrafluoro-4-pentafluorophenoxyphenyl)stannane

• ChemBase ID: 98877
• Molecular Formular: C48F36O4Sn
• Molecular Mass: 1443.1547152
• Monoisotopic Mass: 1443.8243684
• SMILES: [Sn](c1c(c(c(c(c1F)F)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)(c1c(c(c(c(c1F)F)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(F)c(Oc2c(F)c(F)c(c(c2F)F)F)c(c(c1[Sn](c1c(F)c(F)c(c(c1F)F)Oc1c(F)c(F)c(c(c1F)F)F)(c1c(F)c(F)c(c(c1F)F)Oc1c(F)c(F)c(c(c1F)F)F)c1c(F)c(F)c(c(c1F)F)Oc1c(F)c(F)c(c(c1F)F)F)F)F
• InChI: InChI=1S/4C12F9O.Sn/c4*13-2-1-3(14)5(16)11(4(2)15)22-12-9(20)7(18)6(17)8(19)10(12)21
• InChIKey: ILGVUWHVFHXQDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrakis(2,3,5,6-tetrafluoro-4-pentafluorophenoxyphenyl)stannane
• IUPAC Traditional name: tetrakis(2,3,5,6-tetrafluoro-4-pentafluorophenoxyphenyl)stannane
• Synonyms: Tetrakis(4-pentafluorophenyloxyphenyl-2,3,5,6-tetrafluoro)stannane; Tetrakis(perfluorodiphenyl ether)stannane

Database IDs

• CAS Number: 20824-46-8
• PubChem SID: 162085220
• PubChem CID: 297580

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 19.0968
• LogD (pH = 7.4): 19.0968
• Log P: 19.0968
• Molar Refractivity: 214.6508 cm^3
• Polarizability: 81.650375 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 255-257°C
• Flash Point: >110°C

Safety Information

• Storage Warning: Irritant