Trifluoromethanesulfonic acid 4-(4-acetylpiperazin-1-yl)phenyl ester
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Basic information
- Standard SMILES
CC(=O)N1CCN(c2ccc(OS(=O)(=O)C(F)(F)F)cc2)CC1- InChIKey
VSMSEVLJRYEWCP-UHFFFAOYSA-N- Molecular formula
- C13H15F3N2O4S
- Average molar mass
- 352.33 g/mol
Names & identifiers
- Preferred name
- Trifluoromethanesulfonic acid 4-(4-acetylpiperazin-1-yl)phenyl ester
- IUPAC
- [4-(4-acetylpiperazin-1-yl)phenyl] trifluoromethanesulfonate
Names & synonyms
trifluoromethanesulfonic acid 4-(4-acetylpiperazin-1-yl)phenyl esterSCHEMBL61328741-acetyl-4-(4-trifluoromethanesulfonyloxyphenyl)piperazine
Database identifiers
- PubChem CID
- 22494772
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 516
Related reactions
4 records
Compound notes
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