Basic information
- Standard SMILES
FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(c2ccc(Br)c3ccccc23)=NO1- InChIKey
JYOWYLIGOOUIOH-UHFFFAOYSA-N- Molecular formula
- C20H11BrCl2F3NO
- Average molar mass
- 489.1 g/mol
Names & identifiers
- Preferred name
- 3-(4-Bromo-1-naphthalenyl)-5-(3,5-dichlorophenyl)-4,5-dihydro-5-(trifluoromethyl)isoxazole
- IUPAC
- 3-(4-bromonaphthalen-1-yl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
Names & synonyms
3-(4-bromo-1-naphthalenyl)-5-(3,5-dichlorophenyl)-4,5-dihydro-5-(trifluoromethyl)isoxazoleSCHEMBL10352533-(4-bromo-naphthalen-1-yl)-5-(3,5-dichloro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazole
Database identifiers
- PubChem CID
- 86645277
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 21.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 609
Related reactions
10 records
Compound notes
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