Basic information
- Standard SMILES
CCc1cc(CC#N)ccc1OS(=O)(=O)C(F)(F)F- InChIKey
WISBIQFAFKQMOU-UHFFFAOYSA-N- Molecular formula
- C11H10F3NO3S
- Average molar mass
- 293.26 g/mol
Names & identifiers
- Preferred name
- 4-(Cyanomethyl)-2-ethylphenyl trifluoromethanesulfonate
- IUPAC
- [4-(cyanomethyl)-2-ethylphenyl] trifluoromethanesulfonate
Names & synonyms
4-(cyanomethyl)-2-ethylphenyl trifluoromethanesulfonateSCHEMBL1678768
Database identifiers
- PubChem CID
- 86088083
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 75.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 446
Related reactions
2 records
Compound notes
Loading…