Basic information
- CAS
71387-77-4- Standard SMILES
O=C(NCCCCN(CCCNC(=O)C(F)(F)C(F)(F)F)C(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F- InChIKey
GFDNBHOLOFEQME-UHFFFAOYSA-N- Molecular formula
- C16H16F15N3O3
- Average molar mass
- 583.29 g/mol
- Monoisotopic mass
- 583.0952138
Names & identifiers
- Preferred name
- Spermidine, N,N',N''-tris(pentafluoropropionyl)-
- IUPAC
- 2,2,3,3,3-pentafluoro-N-[4-[2,2,3,3,3-pentafluoropropanoyl-[3-(2,2,3,3,3-pentafluoropropanoylamino)propyl]amino]butyl]propanamide
Names & synonyms
Spermidine, N,N',N''-tris(pentafluoropropionyl)-GFDNBHOLOFEQME-UHFFFAOYSA-NDTXSID20104529571387-77-4N,N',N''-Tris(pentafluoropropionyl)spermidine2,2,3,3,3-Pentafluoro-N-(4-[(2,2,3,3,3-pentafluoropropanoyl)amino]butyl)-N-(3-[(2,2,3,3,3-pentafluoropropanoyl)amino]propyl)propanamide #
Database identifiers
- CAS
71387-77-4- PubChem CID
- 600710
- DTXSID
DTXSID201045295- Nikkaji
- J543.254E
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 12
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 806
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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