Basic information
- Standard SMILES
CCOC(=N)C(CCC(=O)OCC)c1ccccc1C(F)(F)F.Cl- InChIKey
PWDOFRCOBGFRNG-UHFFFAOYSA-N- Molecular formula
- C16H21ClF3NO3
- Average molar mass
- 367.79 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-ethoxycarbonimidoyl-4-(2-trifluoromethylphenyl)butanoate hydrochloride
- IUPAC
- ethyl 5-ethoxy-5-imino-4-[2-(trifluoromethyl)phenyl]pentanoate;hydrochloride
Names & synonyms
ethyl 4-ethoxycarbonimidoyl-4-(2-trifluoromethylphenyl)butanoate hydrochlorideSCHEMBL234154
Database identifiers
- PubChem CID
- 66628906
Properties
Computed structural properties
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 399
Related reactions
1 records
Compound notes
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