N,N'-bis(2,3,5,6-tetrafluoropyridin-4-yl)-N'-[3-[(2,3,5,6-tetrafluoropyridin-4-yl)amino]propyl]propane-1,3-diamine
Basic information
- CAS
6294-42-4- Standard SMILES
Fc1nc(F)c(F)c(NCCCN(CCCNc2c(F)c(F)nc(F)c2F)c2c(F)c(F)nc(F)c2F)c1F- InChIKey
CBQCWQRIQFSVLN-UHFFFAOYSA-N- Molecular formula
- C21H14F12N6
- Average molar mass
- 578.4 g/mol
- Monoisotopic mass
- 578.1088324
Names & identifiers
- Preferred name
- N,N'-bis(2,3,5,6-tetrafluoropyridin-4-yl)-N'-[3-[(2,3,5,6-tetrafluoropyridin-4-yl)amino]propyl]propane-1,3-diamine
- IUPAC
- N,N'-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-N'-[3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propyl]propane-1,3-diamine
Names & synonyms
6294-42-4N,N'-bis(2,3,5,6-tetrafluoropyridin-4-yl)-N'-[3-[(2,3,5,6-tetrafluoropyridin-4-yl)amino]propyl]propane-1,3-diamineDTXSID00410943N~1~,N~3~-Bis(2,3,5,6-tetrafluoropyridin-4-yl)-N~1~-{3-[(2,3,5,6-tetrafluoropyridin-4-yl)amino]propyl}propane-1,3-diamine
Database identifiers
- CAS
6294-42-4- PubChem CID
- 5219985
- DTXSID
DTXSID00410943- Nikkaji
- J1.231.735B
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 11
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 666
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Compound notes
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