Basic information
- CAS
116726-06-8- Standard SMILES
C=CC(=O)N(CC1CC1)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]- InChIKey
XYRWLXXVMVYXAQ-UHFFFAOYSA-N- Molecular formula
- C14H12F3N3O5
- Average molar mass
- 359.26 g/mol
- Monoisotopic mass
- 359.07290498
Names & identifiers
- Preferred name
- 2-Propenamide, N-(cyclopropylmethyl)-N-(2,6-dinitro-4-(trifluoromethyl)phenyl)-
- IUPAC
- N-(cyclopropylmethyl)-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]prop-2-enamide
Names & synonyms
2-Propenamide, N-(cyclopropylmethyl)-N-(2,6-dinitro-4-(trifluoromethyl)phenyl)-116726-06-8N-(cyclopropylmethyl)-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]prop-2-enamideDTXSID80151483
Database identifiers
- CAS
116726-06-8- PubChem CID
- 189441
- DTXSID
DTXSID80151483
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 544
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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