[(3,4,4-trifluorobut-3-en-1-yl)oxy]benzene

• ChemBase ID: 94654
• Molecular Formular: C10H9F3O
• Molecular Mass: 202.1730696
• Monoisotopic Mass: 202.06054957
• SMILES: FC(=C(CCOc1ccccc1)F)F
• Canonical SMILES: FC(=C(F)F)CCOc1ccccc1
• InChI: InChI=1S/C10H9F3O/c11-9(10(12)13)6-7-14-8-4-2-1-3-5-8/h1-5H,6-7H2
• InChIKey: AFEXNMDZJPEEBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3,4,4-trifluorobut-3-en-1-yl)oxy]benzene
• IUPAC Traditional name: [(3,4,4-trifluorobut-3-en-1-yl)oxy]benzene
• Synonyms: 4-Phenoxy-1,1,2-trifluorobut-1-ene; 3,4,4-Trifluorobut-3-enyl phenyl ether 97%

Database IDs

• MDL Number: MFCD00156046
• PubChem SID: 162081308
• PubChem CID: 2777078

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5613544
• LogD (pH = 7.4): 2.5613544
• Log P: 2.5613544
• Molar Refractivity: 57.8067 cm^3
• Polarizability: 17.414526 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant