(5E)-1,1,1,2,2,3,3,4,4,7,7,8,8,9,9,10,10,10-octadecafluorodec-5-ene

• ChemBase ID: 6740
• Molecular Formular: C10H2F18
• Molecular Mass: 464.0941376
• Monoisotopic Mass: 463.98690802
• SMILES: C(=C\C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)/C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(C(F)(F)F)(F)F)(F)F)(/C=C/C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C10H2F18/c11-3(12,5(15,16)7(19,20)9(23,24)25)1-2-4(13,14)6(17,18)8(21,22)10(26,27)28/h1-2H/b2-1+
• InChIKey: FSOCDJTVKIHJDC-OWOJBTEDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5E)-1,1,1,2,2,3,3,4,4,7,7,8,8,9,9,10,10,10-octadecafluorodec-5-ene; 1,1,1,2,2,3,3,4,4,7,7,8,8,9,9,10,10,10-octadecafluorodec-5-ene
• IUPAC Traditional name: (E)-bis(perfluorobutyl)ethene; therox
• Synonyms: trans-1,2-Bis(perfluoro-n-butyl)ethylene; trans-5H,6H-Perfluorodec-5-ene; trans-1,2-Bis(nonafluoro-n-butyl)-ethylene 97%

Database IDs

• CAS Number: 84551-43-9
• MDL Number: MFCD00055550
• PubChem SID: 160970047
• PubChem CID: 5702804

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.8127894
• LogD (pH = 7.4): 6.8127894
• Log P: 6.8127894
• Molar Refractivity: 51.1958 cm^3
• Polarizability: 19.131247 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 64°C/56mm
• Density: 1.675
• Refractive Index: 1.3; 1.300

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 97%