Basic information
- Standard SMILES
O=c1[nH]c(=O)n2c3c1cnn3C(c1cccc(C(F)(F)F)c1)=CC2- InChIKey
NGZYTECBMJVSJH-UHFFFAOYSA-N- Molecular formula
- C15H9F3N4O2
- Average molar mass
- 334.25 g/mol
- Monoisotopic mass
- 334.06776003
Names & identifiers
- Preferred name
- 8-(3-(Trifluoromethyl)phenyl)-3H,6H-1,4,5a,8a-tetraazaacenaphthylene-3,5(4H)-dione
- IUPAC
- 11-[3-(trifluoromethyl)phenyl]-1,2,6,8-tetrazatricyclo[6.3.1.04,12]dodeca-2,4(12),10-triene-5,7-dione
Names & synonyms
8-(3-(Trifluoromethyl)phenyl)-3H,6H-1,4,5a,8a-tetraazaacenaphthylene-3,5(4H)-dioneSCHEMBL8798705
Database identifiers
- PubChem CID
- 15044076
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 606
Related reactions
4 records
Compound notes
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