4-[2-(2,6-Difluorophenyl)-4,5-dihydro-4-oxazolyl]-(4-fluorophenyl)methanone
Basic information
- Standard SMILES
O=CC1=CCC(F)(C2COC(c3c(F)cccc3F)=N2)C=C1- InChIKey
KLNDWUMKBHSZNJ-UHFFFAOYSA-N- Molecular formula
- C16H12F3NO2
- Average molar mass
- 307.27 g/mol
Names & identifiers
- Preferred name
- 4-[2-(2,6-Difluorophenyl)-4,5-dihydro-4-oxazolyl]-(4-fluorophenyl)methanone
- IUPAC
- 4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]-4-fluorocyclohexa-1,5-diene-1-carbaldehyde
Names & synonyms
SCHEMBL27454919KLNDWUMKBHSZNJ-UHFFFAOYSA-N4-[2-(2,6-Difluorophenyl)-4,5-dihydro-4-oxazolyl]-(4-fluorophenyl)methanone
Database identifiers
- PubChem CID
- 131720719
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 536
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Related reactions
1 records
Compound notes
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