Basic information
- CAS
321433-98-1- Standard SMILES
CON=CC(C#N)c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1- InChIKey
MWZIZKAVTWFVKL-UHFFFAOYSA-N- Molecular formula
- C14H8F6N4O
- Average molar mass
- 362.23 g/mol
- Monoisotopic mass
- 362.06022986
Names & identifiers
- Preferred name
- 2-[5,7-Bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-3-methoxyiminopropanenitrile
- IUPAC
- 2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-3-methoxyiminopropanenitrile
- English name
- 1,8-Naphthyridine-2-acetonitrile,alpha-[(methoxyimino)methyl]-5,7-bis(trifluoromethyl)-(9CI)
- Molecular formula
- C14H8F6N4O
- Molecular weight
- 362.23
Names & synonyms
1,8-Naphthyridine-2-acetonitrile, α-[(methoxyimino)methyl]-5,7-bis(trifluoromethyl)-1,8-Naphthyridine-2-acetonitrile,alpha-[(methoxyimino)methyl]-5,7-bis(trifluoromethyl)-(9CI)
Database identifiers
- CAS
321433-98-1- PubChem CID
- 3565267
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 71.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 540
Physicochemical properties
- Boiling point
- 372.089 · 372.089±52.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.475 · 1.475±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.686 · 8.686±0.10(predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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