Basic information
- Standard SMILES
COC(=O)c1cc(Cl)cnc1N1CCC(Oc2cccc(C(F)(F)F)c2)C1- InChIKey
OLMQFWZFMCCDHD-UHFFFAOYSA-N- Molecular formula
- C18H16ClF3N2O3
- Average molar mass
- 400.8 g/mol
Names & identifiers
- Preferred name
- Methyl 5-chloro-2-(3-(3-(trifluoromethyl)phenoxy)pyrrolidin-1-yl)nicotinate
- IUPAC
- methyl 5-chloro-2-[3-[3-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]pyridine-3-carboxylate
Names & synonyms
methyl 5-chloro-2-(3-(3-(trifluoromethyl)phenoxy)pyrrolidin-1-yl)nicotinateSCHEMBL9901493
Database identifiers
- PubChem CID
- 67958734
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 51.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 523
Related reactions
1 records
Compound notes
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