2-cyano-3-oxo-N-[4-(trifluoromethyl)phenyl]hept-6-ynamide
Basic information
- Standard SMILES
C#CCCC(=O)C(C#N)C(=O)Nc1ccc(C(F)(F)F)cc1- InChIKey
MYMWDZLPEPMSCN-UHFFFAOYSA-N- Molecular formula
- C15H11F3N2O2
- Average molar mass
- 308.25 g/mol
- Monoisotopic mass
- 308.07726208
Names & identifiers
- Preferred name
- 2-cyano-3-oxo-N-[4-(trifluoromethyl)phenyl]hept-6-ynamide
- IUPAC
- 2-cyano-3-oxo-N-[4-(trifluoromethyl)phenyl]hept-6-ynamide
Names & synonyms
2-cyano-3-oxo-N-[4-(trifluoromethyl)phenyl]hept-6-ynamideSCHEMBL2728023DTXSID30870218MYMWDZLPEPMSCN-UHFFFAOYSA-NPD040303
Database identifiers
- PubChem CID
- 54097993
- DTXSID
DTXSID30870218
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 516
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…