Basic information
- Standard SMILES
CCSCC(C)(O)c1cc2cc(F)c(C(F)(F)F)cc2n1S(C)(=O)=O- InChIKey
AANQXPNPISMNIN-UHFFFAOYSA-N- Molecular formula
- C15H17F4NO3S2
- Average molar mass
- 399.4 g/mol
Names & identifiers
- Preferred name
- 1-Ethylsulfanyl-2-(5-fluoro-1-methanesulfonyl-6-trifluoromethyl-1H-indol-2-yl)-propan-2-ol
- IUPAC
- 1-ethylsulfanyl-2-[5-fluoro-1-methylsulfonyl-6-(trifluoromethyl)indol-2-yl]propan-2-ol
Names & synonyms
1-Ethylsulfanyl-2-(5-fluoro-1-methanesulfonyl-6-trifluoromethyl-1H-indol-2-yl)-propan-2-olSCHEMBL979113
Database identifiers
- PubChem CID
- 11611014
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 93 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 580
Related reactions
7 records
Compound notes
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