1,1,1,2-tetrafluoro-2-(heptafluoropropoxy)oct-3-ene

• ChemBase ID: 99021
• Molecular Formular: C11H11F11O
• Molecular Mass: 368.1868752
• Monoisotopic Mass: 368.06342539
• SMILES: O(C(F)(C(F)(F)C(F)(F)F)F)C(C(F)(F)F)(/C=C/CCCC)F
• Canonical SMILES: CCCC/C=C/C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C11H11F11O/c1-2-3-4-5-6-7(12,9(15,16)17)23-11(21,22)8(13,14)10(18,19)20/h5-6H,2-4H2,1H3
• InChIKey: VTQJUMDFJZMYAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2-tetrafluoro-2-(heptafluoropropoxy)oct-3-ene
• IUPAC Traditional name: 1,1,1,2-tetrafluoro-2-(heptafluoropropoxy)oct-3-ene
• Synonyms: 1,1,1,2-Tetrafluoro-2-(heptafluoropropoxy)oct-3-ene 97%

Database IDs

• MDL Number: MFCD00155938
• PubChem SID: 162085323
• PubChem CID: 5708713

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.665528
• LogD (pH = 7.4): 6.665528
• Log P: 6.665528
• Molar Refractivity: 57.5416 cm^3
• Polarizability: 20.621723 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Irritant