Basic information
- Standard SMILES
COC(=O)c1nsc(-c2ccccc2)c1C(F)(F)F- InChIKey
LFOQWACIULTJFE-UHFFFAOYSA-N- Molecular formula
- C12H8F3NO2S
- Average molar mass
- 287.26 g/mol
Names & identifiers
- Preferred name
- Methyl 5-phenyl-4-(trifluoromethyl)isothiazole-3-carboxylate
- IUPAC
- methyl 5-phenyl-4-(trifluoromethyl)-1,2-thiazole-3-carboxylate
Names & synonyms
methyl 5-phenyl-4-(trifluoromethyl)isothiazole-3-carboxylateSCHEMBL1807037
Database identifiers
- PubChem CID
- 67168409
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 331
Related reactions
1 records
Compound notes
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