Basic information
- Standard SMILES
O=C1CN(c2ccc(CCC(F)(F)F)cc2O)S(=O)(=O)N1- InChIKey
MRZKFNJJMOSIJH-UHFFFAOYSA-N- Molecular formula
- C11H11F3N2O4S
- Average molar mass
- 324.28 g/mol
Names & identifiers
- Preferred name
- 5-[2-Hydroxy-4-(3,3,3-trifluoropropyl)-phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
- IUPAC
- 5-[2-hydroxy-4-(3,3,3-trifluoropropyl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
Names & synonyms
5-[2-Hydroxy-4-(3,3,3-trifluoropropyl)-phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-oneSCHEMBL3228100
Database identifiers
- PubChem CID
- 57777368
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 95.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 503
Related reactions
1 records
Compound notes
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