Basic information
- Standard SMILES
O=Cc1cc(OC(F)(F)F)ccc1OC1(Sc2ccccc2)CC1- InChIKey
SGOQKRLQZLARAS-UHFFFAOYSA-N- Molecular formula
- C17H13F3O3S
- Average molar mass
- 354.3 g/mol
Names & identifiers
- Preferred name
- 2-(1-Phenylthiocycloprop-1-yl)oxy-5-(trifluoromethoxy)benzaldehyde
- IUPAC
- 2-(1-phenylsulfanylcyclopropyl)oxy-5-(trifluoromethoxy)benzaldehyde
Names & synonyms
2-(1-Phenylthiocycloprop-1-yl)oxy-5-(trifluoromethoxy)benzaldehydeSCHEMBL62082072-(1-Phenylthiocycloprop -1-yl)oxy-5-(trifluoromethoxy)benzaldehyde
Database identifiers
- PubChem CID
- 21584078
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 433
Related reactions
27 records
Compound notes
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