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Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1C=C(OS(=O)(=O)C(F)(F)F)CC1- InChIKey
YIFHNLZXHDKDQS-UHFFFAOYSA-N- Molecular formula
- C10H14F3NO5S
- Average molar mass
- 317.28 g/mol
- Monoisotopic mass
- 317.05447821
Names & identifiers
- Preferred name
- tert-butyl 4-(((trifluoromethyl)sulfonyl)oxy)-2,3-dihydro-1H-pyrrole-1-carboxylate
- IUPAC
- tert-butyl 4-(trifluoromethylsulfonyloxy)-2,3-dihydropyrrole-1-carboxylate
Names & synonyms
tert-butyl 4-(((trifluoromethyl)sulfonyl)oxy)-2,3-dihydro-1H-pyrrole-1-carboxylateSCHEMBL14239072DB-1451581393901-73-9
Database identifiers
- PubChem CID
- 86675729
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 512
Related reactions
2 records
Compound notes
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