Basic information
- Standard SMILES
CCCc1cc(F)c(OCc2c(C(F)(F)C(F)(F)F)ccn2-c2ccc(Cl)cc2)c(F)c1- InChIKey
ZRDJKVQGFYETJT-UHFFFAOYSA-N- Molecular formula
- C22H17ClF7NO
- Average molar mass
- 479.8 g/mol
Names & identifiers
- Preferred name
- 1-(4-chlorophenyl)-2-((2,6-difluoro-4-propylphenoxy)methyl)-3-(perfluoroethyl)-1H-pyrrole
- IUPAC
- 1-(4-chlorophenyl)-2-[(2,6-difluoro-4-propylphenoxy)methyl]-3-(1,1,2,2,2-pentafluoroethyl)pyrrole
Names & synonyms
1-(4-chlorophenyl)-2-((2,6-difluoro-4-propylphenoxy)methyl)-3-(perfluoroethyl)-1H-pyrroleSCHEMBL16033689
Database identifiers
- PubChem CID
- 90407262
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 14.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 587
Related reactions
1 records
Compound notes
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