2-(4-Fluorophenyl)-1-(1,2,4-triazol-1-yl)-3-(triazol-2-yl)butan-2-ol
Basic information
- Standard SMILES
CC(n1nccn1)C(O)(Cn1cncn1)c1ccc(F)cc1- InChIKey
URZZDTNAGRMVNL-UHFFFAOYSA-N- Molecular formula
- C14H15FN6O
- Average molar mass
- 302.31 g/mol
- Monoisotopic mass
- 302.12913729
Names & identifiers
- Preferred name
- 2-(4-Fluorophenyl)-1-(1,2,4-triazol-1-yl)-3-(triazol-2-yl)butan-2-ol
- IUPAC
- 2-(4-fluorophenyl)-1-(1,2,4-triazol-1-yl)-3-(triazol-2-yl)butan-2-ol
Names & synonyms
2-(4-fluorophenyl)-1-(1,2,4-triazol-1-yl)-3-(triazol-2-yl)butan-2-ol2H-1,2,3-Triazole-2-ethanol, a-(4-fluorophenyl)-b-methyl-a-(1H-1,2,4-triazol-1-ylmethyl)-
Database identifiers
- PubChem CID
- 462415
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 361
Related reactions
1 records
Compound notes
Loading…