2,4-dichloro-1,1,1,6,6,6-hexafluorohex-2-ene

• ChemBase ID: 98567
• Molecular Formular: C6H4Cl2F6
• Molecular Mass: 260.9923792
• Monoisotopic Mass: 259.95942481
• SMILES: FC(CC(/C=C(/C(F)(F)F)\Cl)Cl)(F)F
• Canonical SMILES: ClC(CC(F)(F)F)/C=C(/C(F)(F)F)\Cl
• InChI: InChI=1S/C6H4Cl2F6/c7-3(2-5(9,10)11)1-4(8)6(12,13)14/h1,3H,2H2
• InChIKey: VDWLGNLWODLYEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-1,1,1,6,6,6-hexafluorohex-2-ene
• IUPAC Traditional name: 2,4-dichloro-1,1,1,6,6,6-hexafluorohex-2-ene
• Synonyms: 2,4-Dichloro-1,1,1,6,6,6-hexafluorohex-2-ene 97%

Database IDs

• PubChem SID: 162105215
• PubChem CID: 45075672

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.429433
• LogD (pH = 7.4): 3.429433
• Log P: 3.429433
• Molar Refractivity: 41.3693 cm^3
• Polarizability: 14.939504 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant