Basic information
- Standard SMILES
Fc1cccc(-c2cc3c(nn2)C2CCC3C2)c1C(F)(F)F- InChIKey
TYKFJOFPJSBZJH-UHFFFAOYSA-N- Molecular formula
- C16H12F4N2
- Average molar mass
- 308.27 g/mol
Names & identifiers
- Preferred name
- (1SR,8RS)-5-(3-Fluoro-2-trifluoromethyl-phenyl)-3,4-diaza-tricyclo[6.2.1.02,7]undeca-2,4,6-triene
- IUPAC
- 5-[3-fluoro-2-(trifluoromethyl)phenyl]-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene
Names & synonyms
(1SR,8RS)-5-(3-Fluoro-2-trifluoromethyl-phenyl)-3,4-diaza-tricyclo[6.2.1.02,7]undeca-2,4,6-trieneSCHEMBL2324690
Database identifiers
- PubChem CID
- 16063585
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 427
Related reactions
1 records
Compound notes
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