Basic information
- Standard SMILES
Cc1c(C(=O)OC2=CC(=O)C3CCC2C3)ccc(C(F)(F)C(F)(F)F)c1S(C)=O- InChIKey
YLQIOXZKYLOZCY-UHFFFAOYSA-N- Molecular formula
- C19H17F5O4S
- Average molar mass
- 436.4 g/mol
Names & identifiers
- Preferred name
- 4-Oxobicyclo[3.2.1]oct-2-en-2-yl 2-methyl-3-methylsulfinyl-4-pentafluorethylbenzoate
- IUPAC
- (4-oxo-2-bicyclo[3.2.1]oct-2-enyl) 2-methyl-3-methylsulfinyl-4-(1,1,2,2,2-pentafluoroethyl)benzoate
Names & synonyms
4-oxobicyclo[3.2.1]oct-2-en-2-yl 2-methyl-3-methylsulfinyl-4-pentafluorethylbenzoateSCHEMBL420758
Database identifiers
- PubChem CID
- 87104591
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 79.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 747
Related reactions
1 records
Compound notes
Loading…