Basic information
- Standard SMILES
CCOC(=O)c1ccc(C2=CCC(C(F)(F)F)CC2)cc1- InChIKey
BQEDVVKXACZAAG-UHFFFAOYSA-N- Molecular formula
- C16H17F3O2
- Average molar mass
- 298.3 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-[4-(trifluoromethyl)cyclohex-1-en-1-yl]benzoate
- IUPAC
- ethyl 4-[4-(trifluoromethyl)cyclohexen-1-yl]benzoate
Names & synonyms
Ethyl 4-[4-(trifluoromethyl)cyclohex-1-en-1-yl]benzoateSCHEMBL1780684
Database identifiers
- PubChem CID
- 67159074
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 393
Related reactions
2 records
Compound notes
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