(1E)-1-ethoxy-3,3,3-trifluoroprop-1-ene

• ChemBase ID: 801255
• Molecular Formular: C5H7F3O
• Molecular Mass: 140.1036896
• Monoisotopic Mass: 140.0448995
• SMILES: C(=C\C(F)(F)F)/OCC
• Canonical SMILES: CCO/C=C/C(F)(F)F
• InChI: InChI=1S/C5H7F3O/c1-2-9-4-3-5(6,7)8/h3-4H,2H2,1H3/b4-3+
• InChIKey: CXPDIKCBUPMVRN-ONEGZZNKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1E)-1-ethoxy-3,3,3-trifluoroprop-1-ene
• IUPAC Traditional name: (1E)-1-ethoxy-3,3,3-trifluoroprop-1-ene
• Synonyms: (1E)-1-ETHOXY-3,3,3-TRIFLUOROPROP-1-ENE

Database IDs

• CAS Number: 126015-38-1

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.7370939
• LogD (pH = 7.4): 1.7370939
• Log P: 1.7370939
• Molar Refractivity: 28.0593 cm^3
• Polarizability: 9.942508 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%