[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2,2,2-trifluoroacetate
Basic information
- CAS
28587-56-6- Standard SMILES
CC1(C)[C@@H]2CC[C@]1(C)[C@@H](OC(=O)C(F)(F)F)C2- InChIKey
LINNXWGLYUPPJS-VHSKPIJISA-N- Molecular formula
- C12H17F3O2
- Average molar mass
- 250.26 g/mol
- Monoisotopic mass
- 250.11806427
Names & identifiers
- Preferred name
- [(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2,2,2-trifluoroacetate
- IUPAC
- [(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2,2,2-trifluoroacetate
Names & synonyms
28587-56-6DTXSID70951257NSC80515NSC-805151,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl trifluoroacetate(1S,2S,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl trifluoroacetate
Database identifiers
- CAS
28587-56-6- PubChem CID
- 255197
- DTXSID
DTXSID70951257
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 348
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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