Basic information
- Standard SMILES
O=C(O)c1cc2cc(OC(F)(F)F)ccc2oc1=O- InChIKey
JDIYCIZCWPLLNA-UHFFFAOYSA-N- Molecular formula
- C11H5F3O5
- Average molar mass
- 274.15 g/mol
Names & identifiers
- Preferred name
- 6-(Trifluoromethoxy)-2-oxo-2H-chromene-3-carboxylic acid
- IUPAC
- 2-oxo-6-(trifluoromethoxy)chromene-3-carboxylic acid
Names & synonyms
165685-08-56-(Trifluoromethoxy)-2-oxo-2H-chromene-3-carboxylic acid6-trifluoromethoxy-3-carboxy-coumarin2-oxo-6-(trifluoromethoxy)chromene-3-carboxylic Acid2-oxo-6-(trifluoromethoxy)-2H-chromene-3-carboxylic acidMFCD31793556SCHEMBL980363SY301965
Database identifiers
- PubChem CID
- 10061868
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 429
Related reactions
2 records
Compound notes
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