Basic information
- Standard SMILES
Nc1cccc2c(=O)cc(-c3cccc(C(F)(F)F)c3)oc12- InChIKey
SXDCQBGCDFMFKC-UHFFFAOYSA-N- Molecular formula
- C16H10F3NO2
- Average molar mass
- 305.25 g/mol
Names & identifiers
- Preferred name
- 8-amino-2-(3-(trifluoromethyl)phenyl)-4H-chromen-4-one
- IUPAC
- 8-amino-2-[3-(trifluoromethyl)phenyl]chromen-4-one
Names & synonyms
8-amino-2-(3-(trifluoromethyl)phenyl)-4H-chromen-4-oneSCHEMBL2149705
Database identifiers
- PubChem CID
- 58477271
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 475
Related reactions
2 records
Compound notes
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