Basic information
- Standard SMILES
CCOC(=O)C1=Cc2ccc(Cc3ccc(F)c(F)c3)cc2OC1C(F)(F)F- InChIKey
QJMXLHOKVQELFP-UHFFFAOYSA-N- Molecular formula
- C20H15F5O3
- Average molar mass
- 398.3 g/mol
- Monoisotopic mass
- 398.09413515
Names & identifiers
- Preferred name
- ethyl 7-(3,4-difluorobenzyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylate
- IUPAC
- ethyl 7-[(3,4-difluorophenyl)methyl]-2-(trifluoromethyl)-2H-chromene-3-carboxylate
Names & synonyms
ethyl 7-(3,4-difluorobenzyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylateSCHEMBL5643753
Database identifiers
- PubChem CID
- 69516645
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 591
Related reactions
2 records
Compound notes
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