2,3,3,4,4,4-hexafluorobut-1-ene

• ChemBase ID: 98129
• Molecular Formular: C4H2F6
• Molecular Mass: 164.0490992
• Monoisotopic Mass: 164.00606938
• SMILES: FC(F)(F)C(F)(F)C(=C)F
• Canonical SMILES: FC(=C)C(C(F)(F)F)(F)F
• InChI: InChI=1S/C4H2F6/c1-2(5)3(6,7)4(8,9)10/h1H2
• InChIKey: FAOACLKUNWKVPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,3,4,4,4-hexafluorobut-1-ene
• IUPAC Traditional name: 2,3,3,4,4,4-hexafluorobut-1-ene
• Synonyms: 2,3,3,4,4,4-Hexafluorobut-1-ene; 1H,1H-Hexafluorobut-1-ene (HFO-1336mcyf)

Database IDs

• CAS Number: 374-39-0
• PubChem SID: 162084590
• PubChem CID: 12980437

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.333934
• LogD (pH = 7.4): 2.333934
• Log P: 2.333934
• Molar Refractivity: 21.3776 cm^3
• Polarizability: 7.6561613 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant

DETAILS

Apollo Scientific Ltd - PC51055

Cylinder - 1/4" NPTM connection