1,1,2,2,3,3,4,4-octafluoro-5-(prop-2-en-1-yloxy)pentane

• ChemBase ID: 11806
• Molecular Formular: C8H8F8O
• Molecular Mass: 272.1357456
• Monoisotopic Mass: 272.04474064
• SMILES: O(CC(C(C(C(F)F)(F)F)(F)F)(F)F)CC=C
• Canonical SMILES: C=CCOCC(C(C(C(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C8H8F8O/c1-2-3-17-4-6(11,12)8(15,16)7(13,14)5(9)10/h2,5H,1,3-4H2
• InChIKey: HIXXYZPZBSOJHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2,2,3,3,4,4-octafluoro-5-(prop-2-en-1-yloxy)pentane
• IUPAC Traditional name: 1,1,2,2,3,3,4,4-octafluoro-5-(prop-2-en-1-yloxy)pentane
• Synonyms: Allyl 2,2,3,3,4,4,5,5-octafluoropentyl ether; 2,2,3,3,4,4,5,5-Octafluoro-6-oxanon-8-ene; Allyl 2,2,3,3,4,4,5,5-octafluoropentyl ether (97% min)

Database IDs

• CAS Number: 3108-07-4
• MDL Number: MFCD00443218
• PubChem SID: 160975113
• PubChem CID: 2779378

CALCULATED PROPERTIES

• Acid pKa: 19.789547
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4240632
• LogD (pH = 7.4): 3.4240632
• Log P: 3.4240632
• Molar Refractivity: 40.7396 cm^3
• Polarizability: 15.308639 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

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

Product Information

• Purity: 97%