Basic information
- Standard SMILES
CC(C)(C)c1cccc(OS(=O)(=O)C(F)(F)F)c1OCc1ccccc1- InChIKey
CCILXAHVPODKDF-UHFFFAOYSA-N- Molecular formula
- C18H19F3O4S
- Average molar mass
- 388.4 g/mol
Names & identifiers
- Preferred name
- 2-(Benzyloxy)-3-tert-butylphenyl trifluoromethanesulfonate
- IUPAC
- (3-tert-butyl-2-phenylmethoxyphenyl) trifluoromethanesulfonate
Names & synonyms
2-(Benzyloxy)-3-tert-butylphenyl trifluoromethanesulfonateSCHEMBL1637318
Database identifiers
- PubChem CID
- 58238569
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 542
Related reactions
1 records
Compound notes
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