Basic information
- CAS
400088-71-3- Standard SMILES
O=C(CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1- InChIKey
SFBSUQMLKNYIBV-UHFFFAOYSA-N- Molecular formula
- C22H22Cl2F6N6O
- Average molar mass
- 571.3 g/mol
- Monoisotopic mass
- 570.1136337
Names & identifiers
- Preferred name
- 1,2-Bis{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-1-ethanone
- IUPAC
- 1,2-bis[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
Names & synonyms
400088-71-31,2-bis({4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl})ethan-1-one1,2-bis{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-1-ethanoneMLS0005414641,2-bis[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethanoneSMR000126322Piperazine, 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]acetyl]-MLS001385050CHEMBL1378745BDBM77217cid_3695829REGID_for_CID_3695829
Show more names
DTXSID201103132HMS2324B24AKOS0051048139F-9461,2-bis[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazino]ethanone1,2-bis[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethanone1,2-bis[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]ethanone
Database identifiers
- CAS
400088-71-3- PubChem CID
- 3695829
- DTXSID
DTXSID201103132- ChEMBL
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 4
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 776
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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