Basic information
- Standard SMILES
CCOC(=O)C1=Cc2ccc(C(C)(C)C)cc2OC1C(F)(F)F- InChIKey
DZGYIKNPAZUETF-UHFFFAOYSA-N- Molecular formula
- C17H19F3O3
- Average molar mass
- 328.33 g/mol
- Monoisotopic mass
- 328.12862895
Names & identifiers
- Preferred name
- Ethyl 7-(1,1-dimethylethyl)-2-(trifluoromethyl)-2h-1-benzopyran-3-carboxylate
- IUPAC
- ethyl 7-tert-butyl-2-(trifluoromethyl)-2H-chromene-3-carboxylate
Names & synonyms
ethyl 7-(1,1-dimethylethyl)-2-(trifluoromethyl)-2h-1-benzopyran-3-carboxylateSCHEMBL6092049ethyl 7-(1.1-dimethylethyl)-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylate
Database identifiers
- PubChem CID
- 21883685
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 476
Related reactions
5 records
Compound notes
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