Basic information
- CAS
88181-41-3- Standard SMILES
CC(=O)NCCc1[nH]c(C(F)(F)F)nc1C(F)(F)F- InChIKey
YEPYPEPDSNQIIH-UHFFFAOYSA-N- Molecular formula
- C9H9F6N3O
- Average molar mass
- 289.18 g/mol
- Monoisotopic mass
- 289.06498089
Names & identifiers
- Preferred name
- N-[2-[2,4-bis(trifluoromethyl)-1H-imidazol-5-yl]ethyl]acetamide
- IUPAC
- N-[2-[2,4-bis(trifluoromethyl)-1H-imidazol-5-yl]ethyl]acetamide
Names & synonyms
88181-41-3N-[2-[2,4-bis(trifluoromethyl)-1H-imidazol-5-yl]ethyl]acetamideN-{2-[2,4-Bis(trifluoromethyl)-1H-imidazol-5-yl]ethyl}acetamideHistamine, N-acetyl-2,4-bis(trifluoromethyl)-DTXSID30337013YEPYPEPDSNQIIH-UHFFFAOYSA-NHistamine, N-acetyl-2,5-bis(trifluoromethyl)-N-(2-[2,5-Bis(trifluoromethyl)-1H-imidazol-4-yl]ethyl)acetamide #
Database identifiers
- CAS
88181-41-3- PubChem CID
- 537876
- DTXSID
DTXSID30337013
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 57.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 329
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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