1-Propanone, 2-fluoro-1-phenyl-2-(1H-1,2,4-triazol-1-YL)-
Basic information
- CAS
99428-02-1- Standard SMILES
CC(F)(C(=O)c1ccccc1)n1cncn1- InChIKey
YLGLDZJZIBNLLC-UHFFFAOYSA-N- Molecular formula
- C11H10FN3O
- Average molar mass
- 219.21 g/mol
- Monoisotopic mass
- 219.08079011
Names & identifiers
- Preferred name
- 1-Propanone, 2-fluoro-1-phenyl-2-(1H-1,2,4-triazol-1-YL)-
- IUPAC
- 2-fluoro-1-phenyl-2-(1,2,4-triazol-1-yl)propan-1-one
- English name
- 1-Propanone, 2-fluoro-1-phenyl-2-(1H-1,2,4-triazol-1-yl)- (9CI)
- Molecular formula
- C11H10FN3O
- Molecular weight
- 219.2150032
Names & synonyms
99428-02-11-PROPANONE, 2-FLUORO-1-PHENYL-2-(1H-1,2,4-TRIAZOL-1-YL)-SCHEMBL10709496DTXSID106033042-Fluoro-1-phenyl-2-(1H-1,2,4-triazol-1-yl)-1-propanoneDB-2687112-Fluoro-1-phenyl-2-(1H-1,2,4-triazol-1-yl)propan-1-one2-fluoro-1-phenyl-2-(1,2,4-triazol-1-yl)propan-1-one1-Propanone, 2-fluoro-1-phenyl-2-(1H-1,2,4-triazol-1-yl)- (9CI)
Database identifiers
- CAS
99428-02-1- PubChem CID
- 20187582
- DTXSID
DTXSID10603304
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 47.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 268
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…