Basic information
- Standard SMILES
CC1=CC(C)(C)Nc2ccc(OS(=O)(=O)C(F)(F)F)cc21- InChIKey
YXZUMZTZHBLHPT-UHFFFAOYSA-N- Molecular formula
- C13H14F3NO3S
- Average molar mass
- 321.32 g/mol
Names & identifiers
- Preferred name
- Trifluoromethanesulfonic acid 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl ester
- IUPAC
- (2,2,4-trimethyl-1H-quinolin-6-yl) trifluoromethanesulfonate
Names & synonyms
trifluoromethanesulfonic acid 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl esterSCHEMBL4704379
Database identifiers
- PubChem CID
- 20760320
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 534
Related reactions
22 records
Compound notes
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