Basic information
- Standard SMILES
CCOC(=O)C1=NOC(C(O)(C(F)(F)F)C(F)(F)F)C1- InChIKey
FPZOTOLRCMUVAF-UHFFFAOYSA-N- Molecular formula
- C9H9F6NO4
- Average molar mass
- 309.16 g/mol
Names & identifiers
- Preferred name
- Ethyl 5-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-4,5-dihydroisoxazole-3-carboxylate
- IUPAC
- ethyl 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4,5-dihydro-1,2-oxazole-3-carboxylate
Names & synonyms
ethyl 5-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-4,5-dihydroisoxazole-3-carboxylateSCHEMBL647138
Database identifiers
- PubChem CID
- 11266840
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 68.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 402
Related reactions
3 records
Compound notes
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