Basic information
- Standard SMILES
O=C1C(O)C(CCl)CN1c1cccc(C(F)(F)F)c1- InChIKey
INRLFFVTHPXRNK-UHFFFAOYSA-N- Molecular formula
- C12H11ClF3NO2
- Average molar mass
- 293.67 g/mol
- Monoisotopic mass
- 293.0430408
Names & identifiers
- Preferred name
- 4-(Chloromethyl)-3-hydroxy-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
- IUPAC
- 4-(chloromethyl)-3-hydroxy-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
Names & synonyms
4-(Chloromethyl)-3-hydroxy-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one113321-96-3DTXSID101028668NS00067449EN300-373331R406639
Database identifiers
- PubChem CID
- 85544358
- DTXSID
DTXSID101028668
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 350
Experimental & physicochemical properties
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Endocrine DisruptorsPotential endocrine disrupting compound
Chemistry & industry
Uses & manufacturing
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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