Basic information
- CAS
31185-52-1- Standard SMILES
FC(F)(F)C=NC12CC3CC(CC(C3)C1)C2- InChIKey
XGEDZBBTGDETFW-UHFFFAOYSA-N- Molecular formula
- C12H16F3N
- Average molar mass
- 231.26 g/mol
- Monoisotopic mass
- 231.123484
Names & identifiers
- Preferred name
- N-(2,2,2-Trifluoroethylidene)-1-adamantanamine
- IUPAC
- N-(1-adamantyl)-2,2,2-trifluoroethanimine
Names & synonyms
BRN 2731309N-(2,2,2-Trifluoroethylidene)-1-adamantanamine1-Adamantanamine, N-(2,2,2-trifluoroethylidene)-31185-52-1
Database identifiers
- CAS
31185-52-1- PubChem CID
- 64280
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 12.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 277
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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