Basic information
- Standard SMILES
CCCCCCCCCCCCN(CCCC(=O)OCC)CCOc1ccc(/C=C/C(O)C(F)(F)F)cc1- InChIKey
GUAZZZHUZANHBY-DYTRJAOYSA-N- Molecular formula
- C30H48F3NO4
- Average molar mass
- 543.7 g/mol
- Monoisotopic mass
- 543.3535435
Names & identifiers
- Preferred name
- 4-[N-dodecyl-N-2-[4-(E)-[3-hydroxy-4,4,4-trifluorobut-1-en-1-yl]phenoxy]ethylamino] butanoic acid, ethyl ester
- IUPAC
- ethyl 4-[dodecyl-[2-[4-[(E)-4,4,4-trifluoro-3-hydroxybut-1-enyl]phenoxy]ethyl]amino]butanoate
Names & synonyms
4-[N-dodecyl-N-2-[4-(E)-[3-hydroxy-4,4,4-trifluorobut-1-en-1-yl]phenoxy]ethylamino] butanoic acid, ethyl ester4-[N-dodecyl-N-2-[4-(E)-[3-hydroxy-4,4,4-trifluorobut-1-en-1-yl]phenoxy]ethylamino]butanoic acid, ethyl ester
Database identifiers
- PubChem CID
- 86757121
Properties
Computed structural properties
- XLogP
- 9
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 23
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 607
Related reactions
8 records
Compound notes
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