Basic information
- Standard SMILES
Clc1cncnc1N1CCNCC1.O=C(O)C(F)(F)F- InChIKey
QOGUKMBZXTVGFK-UHFFFAOYSA-N- Molecular formula
- C10H12ClF3N4O2
- Average molar mass
- 312.67 g/mol
Names & identifiers
- Preferred name
- 1-(5-Chloropyrimidin-4-yl)piperazine trifluoroacetic acid salt
- IUPAC
- 5-chloro-4-piperazin-1-ylpyrimidine;2,2,2-trifluoroacetic acid
Names & synonyms
1-(5-chloropyrimidin-4-yl)piperazine trifluoroacetic acid saltSCHEMBL2421451
Database identifiers
- PubChem CID
- 67401799
Properties
Computed structural properties
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 244
Related reactions
2 records
Compound notes
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