Basic information
- CAS
66091-19-8- Standard SMILES
CC(C(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1ccccc1)N(C)C(=O)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
BCMWTPKOZMDVHA-UHFFFAOYSA-N- Molecular formula
- C18H13F14NO3
- Average molar mass
- 557.3 g/mol
- Monoisotopic mass
- 557.0671875
Names & identifiers
- Preferred name
- Ephedrine,N,O-bis(heptafluorobutyryl) deriv.
- IUPAC
- [2-[2,2,3,3,4,4,4-heptafluorobutanoyl(methyl)amino]-1-phenylpropyl] 2,2,3,3,4,4,4-heptafluorobutanoate
Names & synonyms
Ephedrine,N,O-bis(heptafluorobutyryl) deriv.Ephedrine, N,O-bis-HFBBCMWTPKOZMDVHA-UHFFFAOYSA-NDTXSID801353545N,O-Bis(heptafluorobutyryl)ephedrine2a(NaMethylperfluorobutanamido)a1aphenylpropyl perfluorobutanoate2-[(2,2,3,3,4,4,4-Heptafluorobutanoyl)(methyl)amino]-1-phenylpropyl 2,2,3,3,4,4,4-heptafluorobutanoate #66091-19-8
Database identifiers
- CAS
66091-19-8- PubChem CID
- 620288
- DTXSID
DTXSID801353545
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 802
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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