CID 6610469
Basic information
- CAS
339023-39-1- Standard SMILES
O=C1OC(=CNc2ccc(OC(F)(F)F)cc2)c2ccccc21- InChIKey
HWZVAGRGLOKRIB-UHFFFAOYSA-N- Molecular formula
- C16H10F3NO3
- Average molar mass
- 321.25 g/mol
Names & identifiers
- Preferred name
- CID 6610469
- IUPAC
- 3-[[4-(trifluoromethoxy)anilino]methylidene]-2-benzofuran-1-one
- English name
- 3-([4-(Trifluoromethoxy)anilino]methylene)-2-benzofuran-1(3H)-one
- Molecular formula
- C16H10F3NO3
- Molecular weight
- 321.25
Names & synonyms
3-([4-(Trifluoromethoxy)anilino]methylene)-2-benzofuran-1(3H)-one1(3H)-Isobenzofuranone, 3-[[[4-(trifluoromethoxy)phenyl]amino]methylene]-(3Z)-3-({[4-(trifluoromethoxy)phenyl]amino}methylidene)-1,3-dihydro-2-benzofuran-1-one
Database identifiers
- CAS
339023-39-1
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 470
Physicochemical properties
- Boiling point
- 400.3 · 400.3±45.0 °C(Predicted)
- Density
- 1.522 · 1.522±0.06 g/cm3(Predicted)
- pka
- -1.43 · -1.43±0.20(Predicted)
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