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Basic information
- Standard SMILES
Cc1ccc(-c2nsc(C(F)(F)F)c2CO)c(F)c1- InChIKey
FERWEYXGNFYIKA-UHFFFAOYSA-N- Molecular formula
- C12H9F4NOS
- Average molar mass
- 291.27 g/mol
Names & identifiers
- Preferred name
- (3-(2-Fluoro-4-methylphenyl)-5-(trifluoromethyl)isothiazol-4-yl)methanol
- IUPAC
- [3-(2-fluoro-4-methylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol
Names & synonyms
(3-(2-fluoro-4-methylphenyl)-5-(trifluoromethyl)isothiazol-4-yl)methanolSCHEMBL16049513
Database identifiers
- PubChem CID
- 90418878
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 315
Related reactions
2 records
Compound notes
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