Basic information
- Standard SMILES
CCCc1c(O)ccc2c(C(F)(F)F)cc(=O)oc12- InChIKey
BUEDPRGNSBANJE-UHFFFAOYSA-N- Molecular formula
- C13H11F3O3
- Average molar mass
- 272.22 g/mol
Names & identifiers
- Preferred name
- 4-Trifluoromethyl-8-propyl-7-hydroxycoumarin
- IUPAC
- 7-hydroxy-8-propyl-4-(trifluoromethyl)chromen-2-one
Names & synonyms
4-trifluoromethyl-8-propyl-7-hydroxycoumarinSCHEMBL15943337-hydroxy-8-propyl-4-(trifluoromethyl)-2H-chromen-2-one
Database identifiers
- PubChem CID
- 53701430
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 389
Related reactions
6 records
Compound notes
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