Basic information
- Standard SMILES
O=C(OC12CC3CC(CC(C3)C1)C2)C(F)(F)F- InChIKey
XVMCUCZHUFRUNL-UHFFFAOYSA-N- Molecular formula
- C12H15F3O2
- Average molar mass
- 248.24 g/mol
Names & identifiers
- Preferred name
- 1-Adamantyl trifluoroacetate
- IUPAC
- 1-adamantyl 2,2,2-trifluoroacetate
Names & synonyms
1-Adamantyl trifluoroacetate58652-54-3adamantan-1-yl 2,2,2-trifluoroacetate1-adamantyl 2,2,2-trifluoroacetate1-(trifluoroacetoxy)adamantanestarbld00330931-trifluoroacetoxyadamantaneSCHEMBL9764361AKOS040768880
Database identifiers
- PubChem CID
- 10879458
- Nikkaji
- J483.956K
Properties
Computed structural properties
- XLogP
- 3.9
- 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
- 307
Related reactions
2 records
Compound notes
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