Basic information
- Standard SMILES
C#Cc1c(-c2ccc(F)cc2)nnn1C- InChIKey
GQFZHAVXJHGQJG-UHFFFAOYSA-N- Molecular formula
- C11H8FN3
- Average molar mass
- 201.2 g/mol
Names & identifiers
- Preferred name
- 5-Ethynyl-4-(4-fluoro-phenyl)-1-methyl-1H-[1,2,3]triazole
- IUPAC
- 5-ethynyl-4-(4-fluorophenyl)-1-methyltriazole
Names & synonyms
SCHEMBL2690006GQFZHAVXJHGQJG-UHFFFAOYSA-N5-Ethynyl-4-(4-fluoro-phenyl)-1-methyl-1H-[1,2,3]triazole
Database identifiers
- PubChem CID
- 86664765
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 264
Related reactions
2 records
Compound notes
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