Basic information
- Standard SMILES
CCOC(=O)C1=Cc2cc(C(F)(F)C(F)(F)F)ccc2OC1C(F)(F)F- InChIKey
FPBPZDWAEWLYNE-UHFFFAOYSA-N- Molecular formula
- C15H10F8O3
- Average molar mass
- 390.22 g/mol
Names & identifiers
- Preferred name
- ethyl 6-(pentafluoroethyl)-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylate
- IUPAC
- ethyl 6-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylate
Names & synonyms
ethyl 6-(pentafluoroethyl)-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylateSCHEMBL6093235
Database identifiers
- PubChem CID
- 21883728
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 566
Related reactions
6 records
Compound notes
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