1,1,2,3,3-pentafluoro-3-(trifluoromethoxy)prop-1-ene

• ChemBase ID: 93742
• Molecular Formular: C4F8O
• Molecular Mass: 216.0294256
• Monoisotopic Mass: 215.98214038
• SMILES: O(C(F)(C(=C(F)F)F)F)C(F)(F)F
• Canonical SMILES: FC(=C(C(OC(F)(F)F)(F)F)F)F
• InChI: InChI=1S/C4F8O/c5-1(2(6)7)3(8,9)13-4(10,11)12
• InChIKey: QPYXRHPMKLWCEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2,3,3-pentafluoro-3-(trifluoromethoxy)prop-1-ene
• IUPAC Traditional name: 1,1,2,3,3-pentafluoro-3-(trifluoromethoxy)prop-1-ene
• Synonyms: Octafluoro-3-methoxyprop-1-ene 97%

Database IDs

• CAS Number: 67641-44-5
• MDL Number: MFCD07368685
• PubChem SID: 162080408
• PubChem CID: 2783163

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.247291
• LogD (pH = 7.4): 3.247291
• Log P: 3.247291
• Molar Refractivity: 30.6048 cm^3
• Polarizability: 8.83088 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant