Basic information
- CAS
61136-72-9- Standard SMILES
C=C1C2(OS(=O)(=O)C(F)(F)F)CCC(C2)C1(C)C- InChIKey
UDEFHBVMJUDEKP-UHFFFAOYSA-N- Molecular formula
- C11H15F3O3S
- Average molar mass
- 284.3 g/mol
- Monoisotopic mass
- 284.0694
Names & identifiers
- Preferred name
- (2,2-Dimethyl-3-methylidene-4-bicyclo[2.2.1]heptanyl) trifluoromethanesulfonate
- IUPAC
- (3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl) trifluoromethanesulfonate
Names & synonyms
61136-72-9NSC368164(2,2-dimethyl-3-methylidene-4-bicyclo[2.2.1]heptanyl) trifluoromethanesulfonateDTXSID50321030NSC-3681643,3-DIMETHYL-2-METHYLIDENEBICYCLO[2.2.1]HEPTAN-1-YL TRIFLUOROMETHANESULFONATE
Database identifiers
- CAS
61136-72-9- PubChem CID
- 339871
- DTXSID
DTXSID50321030- Nikkaji
- J1.616.042C
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 487
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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