Basic information
- Standard SMILES
CCOC(=O)c1cc(C(C)(F)F)on1- InChIKey
ITHBXWDTDHWJPM-UHFFFAOYSA-N- Molecular formula
- C8H9F2NO3
- Average molar mass
- 205.16 g/mol
Names & identifiers
- Preferred name
- Ethyl 5-(1,1-difluoroethyl)isoxazole-3-carboxylate
- IUPAC
- ethyl 5-(1,1-difluoroethyl)-1,2-oxazole-3-carboxylate
Names & synonyms
Ethyl 5-(1,1-difluoroethyl)isoxazole-3-carboxylate861136-14-3starbld0049872SCHEMBL3760681YQF1868ITHBXWDTDHWJPM-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 57736352
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 223
Related reactions
1 records
Compound notes
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