Basic information
- Standard SMILES
CCOC(=O)C1=Cc2ccc(C(C)(C)C)cc2OC1C(F)(F)C(F)(F)F- InChIKey
BHURGMWUELEXNM-UHFFFAOYSA-N- Molecular formula
- C18H19F5O3
- Average molar mass
- 378.3 g/mol
- Monoisotopic mass
- 378.12543527
Names & identifiers
- Preferred name
- ethyl 7-(1,1-Dimethylethyl)-2-(pentafluoroethyl)-2H-1-benzopyran-3-carboxylate
- IUPAC
- ethyl 7-tert-butyl-2-(1,1,2,2,2-pentafluoroethyl)-2H-chromene-3-carboxylate
Names & synonyms
ethyl 7-(1,1-Dimethylethyl)-2-(pentafluoroethyl)-2H-1-benzopyran-3-carboxylateSCHEMBL6094518
Database identifiers
- PubChem CID
- 21883731
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 562
Related reactions
6 records
Compound notes
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