Basic information
- Standard SMILES
COc1cc(OC)cc(C(=CC#N)c2cccc3c2OC(F)(F)C(F)(F)O3)c1- InChIKey
JTHJZRVDBAYRQY-UHFFFAOYSA-N- Molecular formula
- C19H13F4NO4
- Average molar mass
- 395.3 g/mol
Names & identifiers
- Preferred name
- 3-(3,5-Dimethoxy-phenyl)-3-(2,2,3,3-tetrafluoro-2,3-dihydro-benzo[1,4]dioxin-5-yl)-acrylonitrile
- IUPAC
- 3-(3,5-dimethoxyphenyl)-3-(2,2,3,3-tetrafluoro-1,4-benzodioxin-5-yl)prop-2-enenitrile
Names & synonyms
3-(3,5-dimethoxy-phenyl)-3-(2,2,3,3-tetrafluoro-2,3-dihydro-benzo[1,4]dioxin-5-yl)-acrylonitrileSCHEMBL4816537
Database identifiers
- PubChem CID
- 85147177
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 635
Related reactions
3 records
Compound notes
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