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Basic information
- Standard SMILES
CP(C)(=O)CN1CCN(Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1- InChIKey
AWHSBUOLMQZIBD-UHFFFAOYSA-N- Molecular formula
- C15H21F3N3O3P
- Average molar mass
- 379.31 g/mol
- Monoisotopic mass
- 379.12726302
Names & identifiers
- Preferred name
- 1-[(Dimethylphosphoryl)methyl]-4-[4-nitro-2-(trifluoromethyl)benzyl]piperazine
- IUPAC
- 1-(dimethylphosphorylmethyl)-4-[[4-nitro-2-(trifluoromethyl)phenyl]methyl]piperazine
Names & synonyms
1-[(dimethylphosphoryl)methyl]-4-[4-nitro-2-(trifluoromethyl)benzyl]piperazineSCHEMBL4105203
Database identifiers
- PubChem CID
- 57775137
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 512
Related reactions
6 records
Compound notes
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