Basic information
- Standard SMILES
FC(F)(F)Sc1[nH]ccc1-c1ccc(Cl)cc1- InChIKey
AWLUEECEEQGTEI-UHFFFAOYSA-N- Molecular formula
- C11H7ClF3NS
- Average molar mass
- 277.69 g/mol
- Monoisotopic mass
- 276.9939826
Names & identifiers
- Preferred name
- 3-(p-Chlorophenyl)-2-[(trifluoromethyl)thio]pyrrole
- IUPAC
- 3-(4-chlorophenyl)-2-(trifluoromethylsulfanyl)-1H-pyrrole
Names & synonyms
3-(p-Chlorophenyl)-2-[(trifluoromethyl)thio]pyrroleSCHEMBL8664681
Database identifiers
- PubChem CID
- 18930404
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 254
Related reactions
2 records
Compound notes
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