Basic information
- CAS
622386-15-6- Standard SMILES
CS(=O)(=O)N1CCN(c2ccc(OCC(F)(F)F)cc2)CC1- InChIKey
AOKOIRXFTMKENB-UHFFFAOYSA-N- Molecular formula
- C13H17F3N2O3S
- Average molar mass
- 338.35 g/mol
- Monoisotopic mass
- 338.09119806
Names & identifiers
- Preferred name
- 1-(Methylsulfonyl)-4-[4-(2,2,2-trifluoroethoxy)phenyl]piperazine
- IUPAC
- 1-methylsulfonyl-4-[4-(2,2,2-trifluoroethoxy)phenyl]piperazine
Names & synonyms
1-(methylsulfonyl)-4-[4-(2,2,2-trifluoroethoxy)phenyl]piperazine622386-15-6SCHEMBL3944220DTXSID306104341-(Methanesulfonyl)-4-[4-(2,2,2-trifluoroethoxy)phenyl]piperazine
Database identifiers
- CAS
622386-15-6- PubChem CID
- 21068624
- DTXSID
DTXSID30610434
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 448
Related reactions
2 records
Compound notes
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