Basic information
- Standard SMILES
COC(=O)c1c(C(F)(F)C(F)(F)F)ccn1S(=O)(=O)c1ccccc1- InChIKey
LIXIQTSLFZUORW-UHFFFAOYSA-N- Molecular formula
- C14H10F5NO4S
- Average molar mass
- 383.29 g/mol
Names & identifiers
- Preferred name
- methyl 3-(perfluoroethyl)-1-(phenylsulfonyl)-1H-pyrrole-2-carboxylate
- IUPAC
- methyl 1-(benzenesulfonyl)-3-(1,1,2,2,2-pentafluoroethyl)pyrrole-2-carboxylate
Names & synonyms
methyl 3-(perfluoroethyl)-1-(phenylsulfonyl)-1H-pyrrole-2-carboxylateSCHEMBL16032756
Database identifiers
- PubChem CID
- 90406470
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 595
Related reactions
2 records
Compound notes
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