Basic information
- CAS
959084-08-3- Standard SMILES
C=CCc1ccccc1OCC(CN(C(=O)C(F)(F)C(F)(F)C(F)(F)F)C(C)C)OC(=O)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
DBANNUCXAQOZMF-UHFFFAOYSA-N- Molecular formula
- C23H21F14NO4
- Average molar mass
- 641.4 g/mol
- Monoisotopic mass
- 641.1247024
Names & identifiers
- Preferred name
- Alprenolol, HFB
- IUPAC
- [1-[2,2,3,3,4,4,4-heptafluorobutanoyl(propan-2-yl)amino]-3-(2-prop-2-enylphenoxy)propan-2-yl] 2,2,3,3,4,4,4-heptafluorobutanoate
Names & synonyms
Alprenolol, HFBDBANNUCXAQOZMF-UHFFFAOYSA-NDTXSID901353712N,O-Di(heptafluorobutyryl)-alprenololAlprenolol, N,O-di(heptafluorobutyryl)-1-(2-Allylphenoxy)-3-(2,2,3,3,4,4,4-heptafluoro-N-isopropylbutanamido)propan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate959084-08-3
Database identifiers
- CAS
959084-08-3- PubChem CID
- 526010
- DTXSID
DTXSID901353712
Properties
Computed structural properties
- XLogP
- 8.1
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 14
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 948
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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