Basic information
- Standard SMILES
CC(OC1CCCCO1)C(O)(Cn1cncn1)c1cc(F)ccc1F- InChIKey
BTKBSLSOTARAOZ-UHFFFAOYSA-N- Molecular formula
- C17H21F2N3O3
- Average molar mass
- 353.36 g/mol
Names & identifiers
- Preferred name
- 2-(2,5-Difluorophenyl)-3-(oxan-2-yloxy)-1-(1,2,4-triazol-1-yl)butan-2-ol
- IUPAC
- 2-(2,5-difluorophenyl)-3-(oxan-2-yloxy)-1-(1,2,4-triazol-1-yl)butan-2-ol
Names & synonyms
SCHEMBL17144710
Database identifiers
- PubChem CID
- 18367686
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 434
Related reactions
2 records
Compound notes
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