Basic information
- Standard SMILES
CCOC(=O)c1cc(-c2ccccc2C(F)(F)F)n(S(=O)(=O)c2ccc(F)cc2)c1- InChIKey
MFOFYJNYRVSKBZ-UHFFFAOYSA-N- Molecular formula
- C20H15F4NO4S
- Average molar mass
- 441.4 g/mol
- Monoisotopic mass
- 441.06579178
Names & identifiers
- Preferred name
- ethyl 1-[(4-fluorophenyl)sulfonyl]-5-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxylate
- IUPAC
- ethyl 1-(4-fluorophenyl)sulfonyl-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxylate
Names & synonyms
ethyl 1-[(4-fluorophenyl)sulfonyl]-5-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxylateSCHEMBL1156681
Database identifiers
- PubChem CID
- 66924947
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 701
Related reactions
2 records
Compound notes
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