Basic information
- Standard SMILES
Fc1cncc(-c2cc(-c3cccc(C(F)(F)F)c3)on2)c1- InChIKey
IFCCATSBQFYQHZ-UHFFFAOYSA-N- Molecular formula
- C15H8F4N2O
- Average molar mass
- 308.23 g/mol
- Monoisotopic mass
- 308.05727553
Names & identifiers
- Preferred name
- 3-(5-Fluoropyridin-3-yl)-5-(3-(trifluoromethyl)phenyl)isoxazole
- IUPAC
- 3-(5-fluoro-3-pyridinyl)-5-[3-(trifluoromethyl)phenyl]-1,2-oxazole
Names & synonyms
3-(5-Fluoropyridin-3-yl)-5-(3-(trifluoromethyl)phenyl)isoxazoleSCHEMBL4397222
Database identifiers
- PubChem CID
- 44546353
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 379
Related reactions
1 records
Compound notes
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