Basic information
- Standard SMILES
COC(=O)c1cnc(OCC(F)(F)F)c(C2=CCCC2)c1- InChIKey
CZJKDHSZCAAJGU-UHFFFAOYSA-N- Molecular formula
- C14H14F3NO3
- Average molar mass
- 301.26 g/mol
- Monoisotopic mass
- 301.09257779
Names & identifiers
- Preferred name
- 5-Cyclopent-1-enyl-6-(2,2,2-trifluoro-ethoxy)-nicotinic acid methylester
- IUPAC
- methyl 5-(cyclopenten-1-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate
Names & synonyms
5-Cyclopent-1-enyl-6-(2,2,2-trifluoro-ethoxy)-nicotinic acid methylesterSCHEMBL14761487methyl 5-(cyclopent-1-en-1-yl)-6-(2,2,2-trifluoroethoxy)nicotinate5-Cyclopent-1-enyl-6-(2,2,2-trifluoro-ethoxy)-3-pyridinecarboxylic acid methyl ester
Database identifiers
- PubChem CID
- 71293985
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 48.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 409
Related reactions
2 records
Compound notes
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