Basic information
- CAS
721-61-9- Standard SMILES
CCNc1nc(NCC)nc(C(F)(F)F)n1- InChIKey
VLKWQQFBFMQSNA-UHFFFAOYSA-N- Molecular formula
- C8H12F3N5
- Average molar mass
- 235.21 g/mol
- Monoisotopic mass
- 235.10447989
Names & identifiers
- Preferred name
- 1,3,5-Triazine-2,4-diamine, N,N'-diethyl-6-(trifluoromethyl)-
- IUPAC
- 2-N,4-N-diethyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
Names & synonyms
1,3,5-Triazine-2,4-diamine, N,N'-diethyl-6-(trifluoromethyl)-721-61-9N,N'-Diethyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamineDTXSID60222423RefChem:217387DTXCID60144914CHEMBL2287129VLKWQQFBFMQSNA-UHFFFAOYSA-NN~2~,N~4~-Diethyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
Database identifiers
- CAS
721-61-9- PubChem CID
- 12871
- DTXSID
DTXSID60222423- ChEMBL
CHEMBL2287129- Nikkaji
- J900.555B
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 196
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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