Basic information
- CAS
111492-70-7- Standard SMILES
O=C1NCCCC1=NNc1ccccc1C(F)(F)F- InChIKey
BAKKKZSDWUUCJB-UHFFFAOYSA-N- Molecular formula
- C12H12F3N3O
- Average molar mass
- 271.24 g/mol
- Monoisotopic mass
- 271.0932465
Names & identifiers
- Preferred name
- 3-{2-[2-(Trifluoromethyl)phenyl]hydrazinylidene}piperidin-2-one
- IUPAC
- 3-[[2-(trifluoromethyl)phenyl]hydrazinylidene]piperidin-2-one
Names & synonyms
DTXSID6011739312,3-Piperidinedione, 3-[2-[2-(trifluoromethyl)phenyl]hydrazone]3-{2-[2-(Trifluoromethyl)phenyl]hydrazinylidene}piperidin-2-one111492-70-7
Database identifiers
- CAS
111492-70-7- PubChem CID
- 85534017
- DTXSID
DTXSID601173931
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 53.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 368
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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