Basic information
- CAS
67292-90-4- Standard SMILES
FC(F)(F)C1NCCN1.FC(F)(F)C1NCCN1.O- InChIKey
KEEFOWVQFINXRQ-UHFFFAOYSA-N- Molecular formula
- C8H16F6N4O
- Average molar mass
- 298.23 g/mol
- Monoisotopic mass
- 298.12283012
Names & identifiers
- Preferred name
- Imidazolidine, 2-trifluoromethyl-, hemihydrate
- IUPAC
- bis(2-(trifluoromethyl)imidazolidine);hydrate
Names & synonyms
2-Trifluoromethylimidazolidine hemihydrateIMIDAZOLIDINE, 2-TRIFLUOROMETHYL-, HEMIHYDRATE67292-90-4DTXSID20217633RefChem:348939DTXCID701401242-(Trifluoromethyl)imidazolidine--water (2/1)
Database identifiers
- CAS
67292-90-4- PubChem CID
- 49786
- DTXSID
DTXSID20217633
Properties
Computed structural properties
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 94.5
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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