Ethyl 7-(trifluoromethylsulfonyloxy)-3-azabicyclo[3.3.1]non-6-ene-3-carboxylate

HCID 57486348

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

Related reactions

8 records

Compound notes

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