Basic information
- Standard SMILES
Fc1cncc(-c2cc(-c3cc(F)cc(F)c3)on2)c1- InChIKey
HEASVRUCDCQINJ-UHFFFAOYSA-N- Molecular formula
- C14H7F3N2O
- Average molar mass
- 276.21 g/mol
- Monoisotopic mass
- 276.05104734
Names & identifiers
- Preferred name
- 5-(3,5-Difluorophenyl)-3-(5-fluoropyridin-3-yl)isoxazole
- IUPAC
- 5-(3,5-difluorophenyl)-3-(5-fluoro-3-pyridinyl)-1,2-oxazole
Names & synonyms
SCHEMBL4322370HEASVRUCDCQINJ-UHFFFAOYSA-N5-(3,5-Difluorophenyl)-3-(5-fluoropyridin-3-yl)isoxazole
Database identifiers
- PubChem CID
- 44546349
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 324
Related reactions
1 records
Compound notes
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