1-(5-Nitro-1-benzofuran-7-yl)-3-(trifluoromethyl)piperazine
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
O=[N+]([O-])c1cc(N2CCNC(C(F)(F)F)C2)c2occc2c1- InChIKey
SODICOVQUCFOGL-UHFFFAOYSA-N- Molecular formula
- C13H12F3N3O3
- Average molar mass
- 315.25 g/mol
- Monoisotopic mass
- 315.08307574
Names & identifiers
- Preferred name
- 1-(5-Nitro-1-benzofuran-7-yl)-3-(trifluoromethyl)piperazine
- IUPAC
- 1-(5-nitro-1-benzofuran-7-yl)-3-(trifluoromethyl)piperazine
Names & synonyms
1-(5-nitro-1-benzofuran-7-yl)-3-(trifluoromethyl)piperazineSCHEMBL1059426
Database identifiers
- PubChem CID
- 66892016
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 429
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
4 records
Compound notes
Loading…