Basic information
- Standard SMILES
N#Cc1c(Cl)c(C(F)(F)F)n(CCl)c1-c1ccc(Cl)cc1- InChIKey
MJXNICGRTUNHQU-UHFFFAOYSA-N- Molecular formula
- C13H6Cl3F3N2
- Average molar mass
- 353.5 g/mol
Names & identifiers
- Preferred name
- 4-Chloro-1-(chloromethyl)-2-(p-chlorophenyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile
- IUPAC
- 4-chloro-1-(chloromethyl)-2-(4-chlorophenyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile
Names & synonyms
4-chloro-1-(chloromethyl)-2-(p-chlorophenyl)-5-(trifluoromethyl)pyrrole-3-carbonitrileSCHEMBL7494704
Database identifiers
- PubChem CID
- 11035601
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 415
Related reactions
5 records
Compound notes
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