2-Fluoro-1-phenyl-2-(1H-1,2,4-triazol-1-yl)ethanone
Basic information
- CAS
99428-01-0- Standard SMILES
O=C(c1ccccc1)C(F)n1cncn1- InChIKey
STJYJUSOMHFBOJ-UHFFFAOYSA-N- Molecular formula
- C10H8FN3O
- Average molar mass
- 205.19 g/mol
- Monoisotopic mass
- 205.06514005
Names & identifiers
- Preferred name
- 2-Fluoro-1-phenyl-2-(1H-1,2,4-triazol-1-yl)ethanone
- IUPAC
- 2-fluoro-1-phenyl-2-(1,2,4-triazol-1-yl)ethanone
- English name
- Ethanone, 2-fluoro-1-phenyl-2-(1H-1,2,4-triazol-1-yl)- (9CI)
- Molecular formula
- C10H8FN3O
- Molecular weight
- 205.1884232
Names & synonyms
99428-01-02-Fluoro-1-phenyl-2-(1H-1,2,4-triazol-1-yl)ethanoneSCHEMBL10711903DTXSID90603302DB-2765502-Fluoro-1-phenyl-2-(1H-1,2,4-triazol-1-yl)ethan-1-oneEthanone, 2-fluoro-1-phenyl-2-(1H-1,2,4-triazol-1-yl)-2-fluoro-1-phenyl-2-(1,2,4-triazol-1-yl)ethanoneEthanone, 2-fluoro-1-phenyl-2-(1H-1,2,4-triazol-1-yl)- (9CI)
Database identifiers
- CAS
99428-01-0- PubChem CID
- 20187545
- DTXSID
DTXSID90603302
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 47.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 231
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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