dodecafluorohex-1-ene

• ChemBase ID: 12083
• 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: FC(=C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F)F
• InChI: InChI=1S/C6F12/c7-1(2(8)9)3(10,11)4(12,13)5(14,15)6(16,17)18
• InChIKey: RMHCWMIZBMGHKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dodecafluorohex-1-ene
• IUPAC Traditional name: dodecafluoro-hex-1-ene
• Synonyms: Perfluorohexene-1; Perfluorohex-1-ene

Database IDs

• CAS Number: 755-25-9
• MDL Number: MFCD04038339
• PubChem SID: 160975390
• PubChem CID: 69786

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.9143693
• LogD (pH = 7.4): 3.9143693
• Log P: 3.9143693
• Molar Refractivity: 41.8432 cm^3
• Polarizability: 11.835608 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 50-57°C; 57°C
• Flash Point: none°C
• Refractive Index: 1.267

Safety Information

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