Ethyl 4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoylamino)benzoate
Basic information
- Standard SMILES
CCOC(=O)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1- InChIKey
ZWTAHDMTACEDRF-UHFFFAOYSA-N- Molecular formula
- C17H10F15NO3
- Average molar mass
- 561.24 g/mol
- Monoisotopic mass
- 561.0421156
Names & identifiers
- Preferred name
- Ethyl 4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoylamino)benzoate
- IUPAC
- ethyl 4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoylamino)benzoate
Names & synonyms
CHEMBL30580DTXSID001367770ethyl 4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoylamino)benzoate
Database identifiers
- PubChem CID
- 44280280
- DTXSID
DTXSID001367770- ChEMBL
CHEMBL30580
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 817
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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