Basic information
- Standard SMILES
CCCCCCCCCCCCN(CCOc1ccc(/C=C/C(O)C(F)(F)F)cc1)CCC(=O)OCC- InChIKey
ZKJJWHOFPPNMOZ-KNTRCKAVSA-N- Molecular formula
- C29H46F3NO4
- Average molar mass
- 529.7 g/mol
- Monoisotopic mass
- 529.33789343
Names & identifiers
- Preferred name
- 3-[N-Dodecyl-N-2-[4-(E)-[3-hydroxy-4,4,4-trifluorobut-1-en-1-yl]phenoxy]ethylamino]propanoic Acid, Ethyl Ester
- IUPAC
- ethyl 3-[dodecyl-[2-[4-[(E)-4,4,4-trifluoro-3-hydroxybut-1-enyl]phenoxy]ethyl]amino]propanoate
Names & synonyms
3-[N-Dodecyl-N-2-[4-(E)-[3-hydroxy-4,4,4-trifluorobut-1-en-1-yl]phenoxy]ethylamino]propanoic Acid, Ethyl Ester3-[N-Dodecyl-N-2-[4-(E)-[3hydroxy-4,4,4-trifluorobut-1-en-1-yl]phenoxy]ethylamino]propanoic acid, ethyl ester
Database identifiers
- PubChem CID
- 86757124
Properties
Computed structural properties
- XLogP
- 8.6
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 22
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 592
Related reactions
2 records
Compound notes
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