Basic information
- Standard SMILES
FC(F)Oc1ccc(-c2nc(-c3cccc(C4OCCO4)c3)n[nH]2)cc1- InChIKey
HPVMLVGNBMOYTP-UHFFFAOYSA-N- Molecular formula
- C18H15F2N3O3
- Average molar mass
- 359.3 g/mol
Names & identifiers
- Preferred name
- 5-(4-Difluoromethoxy-phenyl)-3-(3-[1,3]dioxolan-2-yl-phenyl)-1H-[1,2,4]triazole
- IUPAC
- 5-[4-(difluoromethoxy)phenyl]-3-[3-(1,3-dioxolan-2-yl)phenyl]-1H-1,2,4-triazole
Names & synonyms
5-(4-Difluoromethoxy-phenyl)-3-(3-[1,3]dioxolan-2-yl-phenyl)-1H-[1,2,4]triazoleSCHEMBL6580842
Database identifiers
- PubChem CID
- 21180334
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 69.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 445
Related reactions
1 records
Compound notes
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