3-(2,2,3,3,3-pentafluoropropoxy)prop-1-ene

• ChemBase ID: 11808
• Molecular Formular: C6H7F5O
• Molecular Mass: 190.111196
• Monoisotopic Mass: 190.04170594
• SMILES: C=CCOCC(C(F)(F)F)(F)F
• Canonical SMILES: C=CCOCC(C(F)(F)F)(F)F
• InChI: InChI=1S/C6H7F5O/c1-2-3-12-4-5(7,8)6(9,10)11/h2H,1,3-4H2
• InChIKey: OPCORXXVBOOEID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,2,3,3,3-pentafluoropropoxy)prop-1-ene
• IUPAC Traditional name: 3-(2,2,3,3,3-pentafluoropropoxy)prop-1-ene
• Synonyms: Allyl 2,2,3,3,3-pentafluoropropyl ether; Allyl 2,2,3,3,3-pentafluoropropyl ether 97%

Database IDs

• CAS Number: 186907-75-5
• MDL Number: MFCD02093320
• PubChem SID: 160975115
• PubChem CID: 3733234

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5115383
• LogD (pH = 7.4): 2.5115383
• Log P: 2.5115383
• Molar Refractivity: 32.2933 cm^3
• Polarizability: 11.718643 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

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

Product Information

• Purity: 97%