1,1,3,3,5,5,7,7-Octachloro-8-[2-(trifluoromethyl)phenyl]-5,7-dihydro-1H,3H-difuro[3,4-B:3,4-E]pyridine
Basic information
- CAS
145488-36-4- Standard SMILES
FC(F)(F)c1ccccc1-c1c2c(nc3c1C(Cl)(Cl)OC3(Cl)Cl)C(Cl)(Cl)OC2(Cl)Cl- InChIKey
DWCWFSQGHNNJKA-UHFFFAOYSA-N- Molecular formula
- C16H4Cl8F3NO2
- Average molar mass
- 582.8 g/mol
- Monoisotopic mass
- 578.770234
Names & identifiers
- Preferred name
- 1,1,3,3,5,5,7,7-Octachloro-8-[2-(trifluoromethyl)phenyl]-5,7-dihydro-1H,3H-difuro[3,4-B:3,4-E]pyridine
- IUPAC
- 4,4,6,6,10,10,12,12-octachloro-8-[2-(trifluoromethyl)phenyl]-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene
- English name
- 1,1,3,3,5,5,7,7-Octachloro-8-[2-(trifluoromethyl)phenyl]-5,7-dihydro-1H,3H-difuro[3,4-b:3,4-e]pyridine
- Molecular formula
- C16H4Cl8F3NO2
- Molecular weight
- 582.83
Names & synonyms
AKOS0244215541,1,3,3,5,5,7,7-OCTACHLORO-8-[2-(TRIFLUOROMETHYL)PHENYL]-5,7-DIHYDRO-1H,3H-DIFURO[3,4-B:3,4-E]PYRIDINE1H,3H-Difuro[3,4-b:3′,4′-e]pyridine, 1,1,3,3,5,5,7,7-octachloro-5,7-dihydro-8-[2-(trifluoromethyl)phenyl]-
Database identifiers
- CAS
145488-36-4- PubChem CID
- 4464878
- EC Number
- 158-789-3
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 31.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 666
Physicochemical properties
- Boiling point
- 523.845 · 523.845±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.909 · 1.909±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -6.482 · -6.482±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…