Basic information
- Standard SMILES
CCOC(=O)c1ccc(NCCCCCCCCCCCCCCCC(F)(F)F)cc1- InChIKey
VYQFDMSYMNKLSF-UHFFFAOYSA-N- Molecular formula
- C25H40F3NO2
- Average molar mass
- 443.6 g/mol
- Monoisotopic mass
- 443.301114
Names & identifiers
- Preferred name
- Ethyl 4-[15-(trifluoromethyl)pentadecylamino]benzoate
- IUPAC
- ethyl 4-(16,16,16-trifluorohexadecylamino)benzoate
Names & synonyms
Ethyl 4-[15-(trifluoromethyl)pentadecylamino]benzoateCHEMBL33578SCHEMBL11254051
Database identifiers
- PubChem CID
- 12797299
- ChEMBL
CHEMBL33578
Properties
Computed structural properties
- XLogP
- 10.6
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 19
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 435
Related reactions
10 records
Compound notes
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