Basic information
- Standard SMILES
N#Cc1ccc(N2CCNCC2)c(F)c1F.O=C(O)C(F)(F)F- InChIKey
XURKCIGTTMJFFZ-UHFFFAOYSA-N- Molecular formula
- C13H12F5N3O2
- Average molar mass
- 337.24 g/mol
Names & identifiers
- Preferred name
- 2,3-Difluoro-4-piperazin-1-yl-benzonitrile trifluoro-acetic acid
- IUPAC
- 2,3-difluoro-4-piperazin-1-ylbenzonitrile;2,2,2-trifluoroacetic acid
Names & synonyms
2,3-Difluoro-4-piperazin-1-yl-benzonitrile trifluoro-acetic acidSCHEMBL3921505
Database identifiers
- PubChem CID
- 68840261
Properties
Computed structural properties
- Topological polar surface area
- 76.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 366
Related reactions
4 records
Compound notes
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