N,O,O'-Tris(pentafluoropropionoyl)dopamine
Basic information
- CAS
59785-38-5- Standard SMILES
O=C(NCCc1ccc(OC(=O)C(F)(F)C(F)(F)F)c(OC(=O)C(F)(F)C(F)(F)F)c1)C(F)(F)C(F)(F)F- InChIKey
UHOMWNKFQGMSMM-UHFFFAOYSA-N- Molecular formula
- C17H8F15NO5
- Average molar mass
- 591.22 g/mol
- Monoisotopic mass
- 591.0162948
Names & identifiers
- Preferred name
- N,O,O'-Tris(pentafluoropropionoyl)dopamine
- IUPAC
- [4-[2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl]-2-(2,2,3,3,3-pentafluoropropanoyloxy)phenyl] 2,2,3,3,3-pentafluoropropanoate
Names & synonyms
N,O,O'-Tris(pentafluoropropionoyl)dopamineUHOMWNKFQGMSMM-UHFFFAOYSA-NDTXSID901045365N,O,O'-Tris(perfluoropropionoyl)dopamine59785-38-5Propanoic acid, pentafluoro-, 4-[2-[(2,2,3,3,3-pentafluoro-1-oxopropyl)amino]ethyl]-1,2-phenylene ester4-(2-[(2,2,3,3,3-Pentafluoropropanoyl)amino]ethyl)-2-[(2,2,3,3,3-pentafluoropropanoyl)oxy]phenyl 2,2,3,3,3-pentafluoropropanoate #
Database identifiers
- CAS
59785-38-5- PubChem CID
- 634693
- DTXSID
DTXSID901045365- Nikkaji
- J543.255C
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 880
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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