(2E)-dodecafluorohex-2-ene

• ChemBase ID: 12084
• Molecular Formular: C6F12
• Molecular Mass: 300.0450384
• Monoisotopic Mass: 299.98083864
• SMILES: C(/C(=C(/C(C(C(F)(F)F)(F)F)(F)F)\F)/F)(F)(F)F
• Canonical SMILES: F/C(=C(\C(C(C(F)(F)F)(F)F)(F)F)/F)/C(F)(F)F
• InChI: InChI=1S/C6F12/c7-1(2(8)4(11,12)13)3(9,10)5(14,15)6(16,17)18/b2-1+
• InChIKey: JBDBBTPNNYKSQX-OWOJBTEDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2E)-dodecafluorohex-2-ene; dodecafluorohex-2-ene
• IUPAC Traditional name: (2E)-dodecafluorohex-2-ene; dodecafluorohex-2-ene
• Synonyms: Perfluorohexene-2; Perfluorohex-2-ene

Database IDs

• CAS Number: 1584-00-5
• MDL Number: MFCD00443180
• PubChem SID: 160975391
• PubChem CID: 2782406

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.5610592
• LogD (pH = 7.4): 3.5610592
• Log P: 3.5610592
• Molar Refractivity: 32.7794 cm^3
• Polarizability: 11.832713 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 48-49°C
• Density: 1.6

Safety Information

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

Product Information

• Purity: 80%