Basic information
- Standard SMILES
OC1(C(F)(F)F)CC(c2ccc(Cl)cc2)=NO1- InChIKey
CJTYJGDSAQVEBI-UHFFFAOYSA-N- Molecular formula
- C10H7ClF3NO2
- Average molar mass
- 265.61 g/mol
- Monoisotopic mass
- 265.0117406
Names & identifiers
- Preferred name
- 3-(4-Chloro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-5-ol
- IUPAC
- 3-(4-chlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
Names & synonyms
3-(4-Chloro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-5-olSCHEMBL23252003-(4-chlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-olSTL363558AKOS000558326AKOS0221414253-(4-chlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-5-ol3-(4-chlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-ol187812-06-2
Database identifiers
- PubChem CID
- 2881161
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 326
Related reactions
1 records
Compound notes
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