Basic information
- Standard SMILES
CCOC(=O)C(=O)c1ccc(C2CCCCC2)c(C(F)(F)F)c1- InChIKey
CPZXNZXOGVEMQT-UHFFFAOYSA-N- Molecular formula
- C17H19F3O3
- Average molar mass
- 328.33 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-trifluoromethyl-4-cyclohexylphenylglyoxylate
- IUPAC
- ethyl 2-[4-cyclohexyl-3-(trifluoromethyl)phenyl]-2-oxoacetate
Names & synonyms
ethyl 3-trifluoromethyl-4-cyclohexylphenylglyoxylateSCHEMBL11227231
Database identifiers
- PubChem CID
- 20515217
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 427
Related reactions
19 records
Compound notes
Loading…