Basic information
- CAS
47328-02-9- Standard SMILES
CC1(C)N=C(N)N=C(N)N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1- InChIKey
DYANVCUAEVBZKX-UHFFFAOYSA-N- Molecular formula
- C13H13F6N5
- Average molar mass
- 353.27 g/mol
- Monoisotopic mass
- 353.10751441
Names & identifiers
- Preferred name
- 1,3,5-Triazine-2,4-diamine, 1-(3,5-bis(trifluoromethyl)phenyl)-1,6-dihydro-6,6-dimethyl-
- IUPAC
- 1-[3,5-bis(trifluoromethyl)phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
Names & synonyms
47328-02-91,3,5-Triazine-2,4-diamine, 1-(3,5-bis(trifluoromethyl)phenyl)-1,6-dihydro-6,6-dimethyl-NSC 368890NSC3688901-[3,5-bis(trifluoromethyl)phenyl]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamineNSC-3688901,3,5-Triazine-2,4-diamine, 1-[3,5-bis(trifluoromethyl)phenyl]-1,6-dihydro-6,6-dimethyl-1-[3,5-bis(trifluoromethyl)phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamineGT2JG786YTCHEMBL3040167DTXSID60197107
Database identifiers
- CAS
47328-02-9- PubChem CID
- 435372
- DTXSID
DTXSID60197107- ChEMBL
CHEMBL3040167- UNII
- GT2JG786YT
- Nikkaji
- J419.885I
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 528
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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