Completing data — usually done within a minute
Basic information
- CAS
305329-96-8- Standard SMILES
CC(C)(C)OC(=O)N1CCC(COS(=O)(=O)C(F)(F)F)C1- InChIKey
XMNCGYHYYHDHEK-UHFFFAOYSA-N- Molecular formula
- C11H18F3NO5S
- Average molar mass
- 333.33 g/mol
- Monoisotopic mass
- 333.08577833
Names & identifiers
- Preferred name
- tert-Butyl 3-((((trifluoromethyl)sulfonyl)oxy)methyl)pyrrolidine-1-carboxylate
- IUPAC
- tert-butyl 3-(trifluoromethylsulfonyloxymethyl)pyrrolidine-1-carboxylate
Names & synonyms
305329-96-8tert-Butyl 3-((((trifluoromethyl)sulfonyl)oxy)methyl)pyrrolidine-1-carboxylate3-Trifluoromethanesulfonyloxymethyl-pyrrolidine-1-carboxylic acid tert-butyl esterTERT-BUTYL 3-[(TRIFLUOROMETHANESULFONYLOXY)METHYL]PYRROLIDINE-1-CARBOXYLATEtert-butyl 3-((trifluoromethylsulfonyloxy)methyl)pyrrolidine-1-carboxylateSCHEMBL6058771DTXSID90693743AKOS015907494DB-110228tert-Butyl 3-{[(trifluoromethanesulfonyl)oxy]methyl}pyrrolidine-1-carboxylate
Database identifiers
- CAS
305329-96-8- PubChem CID
- 53385508
- DTXSID
DTXSID90693743
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 478
Related reactions
2 records
Compound notes
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