Basic information
- Standard SMILES
CCOC(=O)c1ccnc(C2=C(c3cc(C(F)(F)F)ccc3OCc3ccc(F)cc3F)CCC2)c1- InChIKey
RMNWEBPYIWSTPL-UHFFFAOYSA-N- Molecular formula
- C27H22F5NO3
- Average molar mass
- 503.5 g/mol
Names & identifiers
- Preferred name
- 2{2-[5-Trifluoromethyl-2-(2,4-difluorobenzyloxy)phenyl]cyclopent-1-enyl}-pyridine-4-carboxylic Acid Ethyl Ester
- IUPAC
- ethyl 2-[2-[2-[(2,4-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-4-carboxylate
Names & synonyms
2{2-[5-Trifluoromethyl-2-(2,4-difluorobenzyloxy)phenyl]cyclopent-1-enyl}-pyridine-4-carboxylic Acid Ethyl EsterSCHEMBL5620151
Database identifiers
- PubChem CID
- 69507773
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 48.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 788
Related reactions
1 records
Compound notes
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