Basic information
- Standard SMILES
O=C(CC(F)=C(F)F)n1cncn1- InChIKey
XVDGMCRAZXSBAQ-UHFFFAOYSA-N- Molecular formula
- C6H4F3N3O
- Average molar mass
- 191.11 g/mol
Names & identifiers
- Preferred name
- 1-(3,4,4-trifluoro-1-oxo-3-butenyl)-1H-1,2,4-triazole
- IUPAC
- 3,4,4-trifluoro-1-(1,2,4-triazol-1-yl)but-3-en-1-one
Names & synonyms
1-(3,4,4-trifluoro-1-oxo-3-butenyl)-1H-1,2,4-triazoleSCHEMBL8343983
Database identifiers
- PubChem CID
- 21836482
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 47.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 239
Related reactions
7 records
Compound notes
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