[(trifluoroethenyl)oxy]benzene

• ChemBase ID: 99218
• Molecular Formular: C8H5F3O
• Molecular Mass: 174.1199096
• Monoisotopic Mass: 174.02924944
• SMILES: O(c1ccccc1)C(=C(F)F)F
• Canonical SMILES: FC(=C(F)F)Oc1ccccc1
• InChI: InChI=1S/C8H5F3O/c9-7(10)8(11)12-6-4-2-1-3-5-6/h1-5H
• InChIKey: HVUFSELLSNXJCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(trifluoroethenyl)oxy]benzene
• IUPAC Traditional name: [(trifluoroethenyl)oxy]benzene
• Synonyms: [(Trifluorovinyl)oxy]benzene; Phenyl trifluorovinyl ether

Database IDs

• CAS Number: 772-53-2
• PubChem SID: 162085506
• PubChem CID: 15880049

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.0232208
• LogD (pH = 7.4): 3.0232208
• Log P: 3.0232208
• Molar Refractivity: 57.5582 cm^3
• Polarizability: 13.816912 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 134-134.5°C
• Flash Point: 36°C
• Density: 1.25
• Refractive Index: 1.4410

Safety Information

• Storage Warning: Flammable