Basic information
- Standard SMILES
N#Cc1cc[nH]c1-c1cc(C(F)(F)F)ccc1Cl- InChIKey
QPSSNRBRLJOBHV-UHFFFAOYSA-N- Molecular formula
- C12H6ClF3N2
- Average molar mass
- 270.64 g/mol
Names & identifiers
- Preferred name
- 2-(2-Chloro-5-trifluoromethyl-phenyl)-1H-pyrrole-3-carbonitrile
- IUPAC
- 2-[2-chloro-5-(trifluoromethyl)phenyl]-1H-pyrrole-3-carbonitrile
Names & synonyms
2-(2-Chloro-5-trifluoromethyl-phenyl)-1H-pyrrole-3-carbonitrileSCHEMBL137312712-[2-chloro-5-(trifluoromethyl)phenyl]-1H-pyrrole-3-carbonitrile
Database identifiers
- PubChem CID
- 70979751
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 39.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 349
Related reactions
2 records
Compound notes
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