1-ethoxy-1,2,2-trifluoroethene

• ChemBase ID: 10601
• Molecular Formular: C4H5F3O
• Molecular Mass: 126.0771096
• Monoisotopic Mass: 126.02924944
• SMILES: C(=C(OCC)F)(F)F
• Canonical SMILES: CCOC(=C(F)F)F
• InChI: InChI=1S/C4H5F3O/c1-2-8-4(7)3(5)6/h2H2,1H3
• InChIKey: OTKFYPFFYGHATK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethoxy-1,2,2-trifluoroethene
• IUPAC Traditional name: 1-ethoxy-1,2,2-trifluoroethene
• Synonyms: Ethyl trifluorovinyl ether

Database IDs

• CAS Number: 1763-27-5
• MDL Number: MFCD01075266
• PubChem SID: 160973908
• PubChem CID: 2737241

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.6890036
• LogD (pH = 7.4): 1.6890036
• Log P: 1.6890036
• Molar Refractivity: 42.7981 cm^3
• Polarizability: 8.21883 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 38.5°C; 39°C

Safety Information

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

Product Information

• Purity: 97%