Basic information
- Standard SMILES
CC1(C)C(C(=O)OCn2ccc(Cc3ccc(F)cc3)c2)C1C(Br)C(Cl)(Cl)Br- InChIKey
FMPGXNBSNIVFJD-UHFFFAOYSA-N- Molecular formula
- C20H20Br2Cl2FNO2
- Average molar mass
- 556.1 g/mol
- Monoisotopic mass
- 552.92219
Names & identifiers
- Preferred name
- [3-(4-Fluorobenzyl)-1-pyrrolyl]methyl 3-(1,2-dibromo-2,2-dichloroethyl)-2,2-dimethylcyclopropanecarboxylate
- IUPAC
- [3-[(4-fluorophenyl)methyl]pyrrol-1-yl]methyl 3-(1,2-dibromo-2,2-dichloroethyl)-2,2-dimethylcyclopropane-1-carboxylate
Names & synonyms
SCHEMBL11489168FMPGXNBSNIVFJD-UHFFFAOYSA-N[3-(4-fluorobenzyl)-1-pyrrolyl]methyl 3-(1,2-dibromo-2,2-dichloroethyl)-2,2-dimethylcyclopropanecarboxylate
Database identifiers
- PubChem CID
- 23328751
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 31.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 572
Related reactions
1 records
Compound notes
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