6-Fluoro-1,3,5-triazine-2,4-diamine
Basic information
- CAS
823-95-0- Standard SMILES
Nc1nc(N)nc(F)n1- InChIKey
YOKNHTLXSZVZKR-UHFFFAOYSA-N- Molecular formula
- C3H4FN5
- Average molar mass
- 129.1 g/mol
- Monoisotopic mass
- 129.04507331
Names & identifiers
- Preferred name
- 6-Fluoro-1,3,5-triazine-2,4-diamine
- IUPAC
- 6-fluoro-1,3,5-triazine-2,4-diamine
Names & synonyms
s-Triazine, 2,4-diamino-6-fluoro-6-fluoro-1,3,5-triazine-2,4-diamine823-95-0DTXSID40231679RefChem:1073931DTXCID20154170BRN 01243392,4-DIAMINO-6-FLUORO-S-TRIAZINE1,3,5-Triazine-2,4-diamine, 6-fluoro-SCHEMBL6003527AKOS006339579
Database identifiers
- CAS
823-95-0- PubChem CID
- 13209
- DTXSID
DTXSID40231679- Nikkaji
- J48.127K
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 88.2
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Compound notes
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