Basic information
- Standard SMILES
O=C(CCc1ccc(OCCSCCO)cc1)C(F)(F)F- InChIKey
LXRRNOJWIRUXNA-UHFFFAOYSA-N- Molecular formula
- C14H17F3O3S
- Average molar mass
- 322.34 g/mol
Names & identifiers
- Preferred name
- 4-[4-[2-(2-Hydroxyethylthio)ethoxy]phenyl]-1,1,1-trifluoro-2-butanone
- IUPAC
- 1,1,1-trifluoro-4-[4-[2-(2-hydroxyethylsulfanyl)ethoxy]phenyl]butan-2-one
Names & synonyms
4-[4-[2-(2-hydroxyethylthio)ethoxy]phenyl]-1,1,1-trifluoro-2-butanoneSCHEMBL7626953
Database identifiers
- PubChem CID
- 18318995
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 302
Related reactions
3 records
Compound notes
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