Basic information
- Standard SMILES
CCOC(=O)c1nnn(-c2ccccc2F)c1C1CCCC1- InChIKey
CCGKOGWREPARIG-UHFFFAOYSA-N- Molecular formula
- C16H18FN3O2
- Average molar mass
- 303.33 g/mol
- Monoisotopic mass
- 303.13830499
Names & identifiers
- Preferred name
- Ethyl 5-cyclopentyl-1-(2-fluorophenyl)-1H-1,2,3-triazole-4-carboxylate
- IUPAC
- ethyl 5-cyclopentyl-1-(2-fluorophenyl)triazole-4-carboxylate
Names & synonyms
SCHEMBL3455998CCGKOGWREPARIG-UHFFFAOYSA-NEthyl 5-cyclopentyl-1-(2-fluorophenyl)-1H-1,2,3-triazole-4-carboxylate
Database identifiers
- PubChem CID
- 67969121
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 57 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 390
Related reactions
1 records
Compound notes
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