Basic information
- Standard SMILES
CCSc1ccc(NC(=O)C(C)(O)C(F)(F)F)c(Cl)c1- InChIKey
FWMREGZPEPOQLM-UHFFFAOYSA-N- Molecular formula
- C12H13ClF3NO2S
- Average molar mass
- 327.75 g/mol
- Monoisotopic mass
- 327.030762
Names & identifiers
- Preferred name
- N-(2-chloro-4-ethylsulfanylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
- IUPAC
- N-(2-chloro-4-ethylsulfanylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
Names & synonyms
SCHEMBL6351332
Database identifiers
- PubChem CID
- 22287403
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 356
Related reactions
1 records
Compound notes
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