Basic information
- Standard SMILES
COC(=O)c1ccc(NCCCCCCCCCCCCCCCC(F)(F)F)cc1- InChIKey
ZJRVUOQQLNBKPJ-UHFFFAOYSA-N- Molecular formula
- C24H38F3NO2
- Average molar mass
- 429.6 g/mol
- Monoisotopic mass
- 429.28546394
Names & identifiers
- Preferred name
- Methyl 4-[15-(trifluoromethyl)pentadecylamino]benzoate
- IUPAC
- methyl 4-(16,16,16-trifluorohexadecylamino)benzoate
Names & synonyms
Methyl 4-[15-(trifluoromethyl)pentadecylamino]benzoateSCHEMBL11244953
Database identifiers
- PubChem CID
- 20549341
Properties
Computed structural properties
- XLogP
- 9.7
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 18
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 421
Related reactions
14 records
Compound notes
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