4,6-Bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
Basic information
- CAS
301211-00-7- Standard SMILES
Nc1nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1- InChIKey
BLRWOTDMVWVIHW-UHFFFAOYSA-N- Molecular formula
- C7H6F6N4O2
- Average molar mass
- 292.14 g/mol
- Monoisotopic mass
- 292.03949442
Names & identifiers
- Preferred name
- 4,6-Bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
- IUPAC
- 4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
- English name
- 4,6-Bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
- Molecular formula
- C7H6F6N4O2
- Molecular weight
- 292.14
Names & synonyms
4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine301211-00-7MFCD00436870ZINC1225171HMS1577I07ZINC01225171C7H6F6N4O2SCHEMBL15868697DTXSID20362394BLRWOTDMVWVIHW-UHFFFAOYSA-NSTK050498AKOS000531210
Show more names
1,3,5-Triazin-2-amine, 4,6-bis(2,2,2-trifluoroethoxy)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine(SALTDATA: FREE)
SB73478BS-37570ZINC000001225171DB-184266Nc1nc(OCC(F)(F)F)nc(n1)OCC(F)(F)FCS-0360230AB00073558-01F313811
Database identifiers
- CAS
301211-00-7- PubChem CID
- 1375552
- DTXSID
DTXSID20362394
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 83.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Boiling point
- 311.6 · 311.6±52.0 °C(Predicted)
- Density
- 1.577 · 1.577±0.06 g/cm3(Predicted)
- pka
- 3.18 · 3.18±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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