Basic information
- CAS
401567-76-8- Standard SMILES
FC(F)(F)c1cc(N2CCNCC2)c2cccc(C(F)(F)F)c2n1- InChIKey
MIGQWBMOCOHDID-UHFFFAOYSA-N- Molecular formula
- C15H13F6N3
- Average molar mass
- 349.27 g/mol
- Monoisotopic mass
- 349.1013664
Names & identifiers
- Preferred name
- 2,8-Bis(trifluoromethyl)-4-(piperazin-1-yl)quinoline
- IUPAC
- 4-piperazin-1-yl-2,8-bis(trifluoromethyl)quinoline
- English name
- 2,8-Bis(trifluoromethyl)-4-(piperazin-1-yl)quinoline
- Molecular formula
- C15H13F6N3
- Molecular weight
- 349.27
Names & synonyms
401567-76-82,8-Bis(trifluoromethyl)-4-(piperazin-1-yl)quinoline4-piperazin-1-yl-2,8-bis(trifluoromethyl)quinoline4-(PIPERAZIN-1-YL)-2,8-BIS(TRIFLUOROMETHYL)QUINOLINEMFCD07700226SCHEMBL2711670CHEMBL4533927DTXSID70469867AB421211-[2,8-bis(trifluoromethyl)-4-quinolyl]piperazineQuinoline, 4-(1-piperazinyl)-2,8-bis(trifluoromethyl)-4-(1-Piperazinyl)-2,8-bis(trifluoromethyl)quinoline
Database identifiers
- CAS
401567-76-8- PubChem CID
- 11638835
- DTXSID
DTXSID70469867- ChEMBL
CHEMBL4533927
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 432
Physicochemical properties
- form
- solid
- color
- Cream
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302+H312+H332-H315
- Precautionary statements
- 280 · P280-P304+P340-P305+P351+P338
- HS Code
- 2933499090 · 2933499090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933499090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H302+H312+H332-H315
- Precautionary statements
- P280-P304+P340-P305+P351+P338
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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