Basic information
- Standard SMILES
COC(=O)c1cnc(OCC(F)(F)F)c(C2CC2)c1- InChIKey
QUTMGEBHVBDEDX-UHFFFAOYSA-N- Molecular formula
- C12H12F3NO3
- Average molar mass
- 275.22 g/mol
Names & identifiers
- Preferred name
- Methyl 5-cyclopropyl-6-(2,2,2-trifluoroethoxy)nicotinate
- IUPAC
- methyl 5-cyclopropyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate
Names & synonyms
methyl 5-cyclopropyl-6-(2,2,2-trifluoroethoxy)nicotinateSCHEMBL147619495-Cyclopropyl-6-(2,2,2-trifluoro-ethoxy)-nicotinic acid methyl ester
Database identifiers
- PubChem CID
- 71294263
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 48.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 331
Related reactions
2 records
Compound notes
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