Basic information
- Standard SMILES
CC1(C)CCCC(C)(C)C1(O)C#Cc1cccc(CCCNC(=O)C(F)(F)F)c1- InChIKey
WUJRTRRXECBHBZ-UHFFFAOYSA-N- Molecular formula
- C23H30F3NO2
- Average molar mass
- 409.5 g/mol
- Monoisotopic mass
- 409.22286369
Names & identifiers
- Preferred name
- 2,2,2-trifluoro-N-(3-(3-((1-hydroxy-2,2,6,6-tetramethylcyclohexyl)ethynyl)phenyl)propyl)acetamide
- IUPAC
- 2,2,2-trifluoro-N-[3-[3-[2-(1-hydroxy-2,2,6,6-tetramethylcyclohexyl)ethynyl]phenyl]propyl]acetamide
Names & synonyms
2,2,2-trifluoro-N-(3-(3-((1-hydroxy-2,2,6,6-tetramethylcyclohexyl)ethynyl)phenyl)propyl)acetamideSCHEMBL237137
Database identifiers
- PubChem CID
- 86635855
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 638
Related reactions
5 records
Compound notes
Loading…