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

• ChemBase ID: 11809
• Molecular Formular: C6H8F4O
• Molecular Mass: 172.1207328
• Monoisotopic Mass: 172.05112776
• SMILES: C=CCOCC(C(F)F)(F)F
• Canonical SMILES: C=CCOCC(C(F)F)(F)F
• InChI: InChI=1S/C6H8F4O/c1-2-3-11-4-6(9,10)5(7)8/h2,5H,1,3-4H2
• InChIKey: MEIXYCHYADMPTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 681-68-5
• MDL Number: MFCD02093319
• PubChem SID: 160975116
• PubChem CID: 2783373

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0227778
• LogD (pH = 7.4): 2.0227778
• Log P: 2.0227778
• Molar Refractivity: 31.4036 cm^3
• Polarizability: 11.679032 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 110°C/740mm
• Density: 1.18
• Refractive Index: 1.3471

Safety Information

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

Product Information

• Purity: 97%