4,5,5,5-tetrafluoro-4-(heptafluoropropoxy)pent-2-ene

• ChemBase ID: 93584
• Molecular Formular: C8H5F11O
• Molecular Mass: 326.1071352
• Monoisotopic Mass: 326.0164752
• SMILES: O(C(C(F)(C(F)(F)F)F)(F)F)C(/C=C/C)(F)C(F)(F)F
• Canonical SMILES: C/C=C/C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C8H5F11O/c1-2-3-4(9,6(12,13)14)20-8(18,19)5(10,11)7(15,16)17/h2-3H,1H3
• InChIKey: RYUIEKVXZQICBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,5,5,5-tetrafluoro-4-(heptafluoropropoxy)pent-2-ene
• IUPAC Traditional name: 4,5,5,5-tetrafluoro-4-(heptafluoropropoxy)pent-2-ene
• Synonyms: 4,5,5,5-Tetrafluoro-4-(heptafluoroprop-1-oxy)pent-2-ene

Database IDs

• MDL Number: MFCD09998047
• PubChem SID: 162080269
• PubChem CID: 5709619

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.331822
• LogD (pH = 7.4): 5.331822
• Log P: 5.331822
• Molar Refractivity: 43.7386 cm^3
• Polarizability: 15.666702 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Irritant