Basic information
- Standard SMILES
COC(=O)c1cccc(C2=C(c3cc(C(F)(F)F)ccc3OCc3ccc(F)cc3F)CCC2)n1- InChIKey
QCSDEPICFQNWON-UHFFFAOYSA-N- Molecular formula
- C26H20F5NO3
- Average molar mass
- 489.4 g/mol
Names & identifiers
- Preferred name
- 6-{2-[5-Trifluoromethyl-2-(2,4-difluorobenzyloxy)phenyl]cyclopent-1-enyl}-pyridine-2-carboxylic Acid Methyl Ester
- IUPAC
- methyl 6-[2-[2-[(2,4-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylate
Names & synonyms
6-{2-[5-Trifluoromethyl-2-(2,4-difluorobenzyloxy)phenyl]cyclopent-1-enyl}-pyridine-2-carboxylic Acid Methyl EsterSCHEMBL5621370
Database identifiers
- PubChem CID
- 69508200
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 48.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 773
Related reactions
2 records
Compound notes
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