Basic information
- Standard SMILES
CCOC(=O)CCCCCCN(C#N)CCCC(CCCCC(F)(F)F)OC(C)=O- InChIKey
OJIHKPBLEVXJGK-UHFFFAOYSA-N- Molecular formula
- C21H35F3N2O4
- Average molar mass
- 436.5 g/mol
- Monoisotopic mass
- 436.25489209
Names & identifiers
- Preferred name
- ethyl 7-[N-(4-acetoxy-9,9,9-trifluorononyl)cyanamido]heptanoate
- IUPAC
- ethyl 7-[(4-acetyloxy-9,9,9-trifluorononyl)-cyanoamino]heptanoate
Names & synonyms
ethyl 7-[N-(4-acetoxy-9,9,9-trifluorononyl)cyanamido]heptanoateSCHEMBL11796488
Database identifiers
- PubChem CID
- 86734151
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 79.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 19
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 532
Related reactions
1 records
Compound notes
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