Basic information
- Standard SMILES
CCOC(=O)N1CC2C=C(OS(=O)(=O)C(F)(F)F)CC(C2)C1- InChIKey
AGKJLKGIDOOHTD-UHFFFAOYSA-N- Molecular formula
- C12H16F3NO5S
- Average molar mass
- 343.32 g/mol
Names & identifiers
- Preferred name
- Ethyl 7-(trifluoromethylsulfonyloxy)-3-azabicyclo[3.3.1]non-6-ene-3-carboxylate
- IUPAC
- ethyl 7-(trifluoromethylsulfonyloxy)-3-azabicyclo[3.3.1]non-6-ene-3-carboxylate
Names & synonyms
ethyl 7-(trifluoromethylsulfonyloxy)-3-azabicyclo[3.3.1]non-6-ene-3-carboxylateSCHEMBL2081830ethyl 7-(trifluoromethylsulfonyloxy)-3-azabicyclo[3.3.1] non-6-ene-3-carboxylate
Database identifiers
- PubChem CID
- 57486348
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 566
Related reactions
8 records
Compound notes
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