1,2,3,4,5-pentafluoro-6-(pentafluoroprop-2-en-1-yl)benzene

• ChemBase ID: 7779
• Molecular Formular: C9F10
• Molecular Mass: 298.080332
• Monoisotopic Mass: 297.9840322
• SMILES: c1(c(c(c(c(c1F)C(C(=C(F)F)F)(F)F)F)F)F)F
• Canonical SMILES: FC(=C(C(c1c(F)c(F)c(c(c1F)F)F)(F)F)F)F
• InChI: InChI=1S/C9F10/c10-2-1(9(18,19)7(15)8(16)17)3(11)5(13)6(14)4(2)12
• InChIKey: WRHBYJDZKRNITP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4,5-pentafluoro-6-(pentafluoroprop-2-en-1-yl)benzene
• IUPAC Traditional name: 1,2,3,4,5-pentafluoro-6-(pentafluoroprop-2-en-1-yl)benzene
• Synonyms: Decafluoroallylbenzene; 3-(Pentafluorophenyl)pentafluoro-1-propene; Perfluoro(allylbenzene); Perfluoro(allylbenzene); Decafluoroallylbenzene; Perfluoroallylbenzene; 3-(Pentafluorophenyl)pentafluoroprop-1-ene 98%; 十氟烯丙基苯; 全氟烯丙基苯

Database IDs

• CAS Number: 67899-41-6
• MDL Number: MFCD00153225
• Beilstein Number: 3563178
• PubChem SID: 160971086; 24887126
• PubChem CID: 2775989

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.9959705
• LogD (pH = 7.4): 3.9959705
• Log P: 3.9959705
• Molar Refractivity: 52.7517 cm^3
• Polarizability: 14.841279 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 1.708; 1.708 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.383

Safety Information

• Storage Warning: Irritant; STORED UNDER ARGON
• German water hazard class: 3
• TSCA Listed: false; 否
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: ≥97.0% (GC); 97%
• Linear Formula: C6F5CF2CF=CF2