Basic information
- Standard SMILES
CCOC(=O)C(C)(C)SCCCC(F)(F)F- InChIKey
TXNLNOLUVHVHFH-UHFFFAOYSA-N- Molecular formula
- C10H17F3O2S
- Average molar mass
- 258.3 g/mol
- Monoisotopic mass
- 258.09013544
Names & identifiers
- Preferred name
- 2-Methyl-2-(4,4,4-trifluoro-butylsulfanyl)-propionic acid ethyl ester
- IUPAC
- ethyl 2-methyl-2-(4,4,4-trifluorobutylsulfanyl)propanoate
Names & synonyms
2-methyl-2-(4,4,4-trifluoro-butylsulfanyl)-propionic acid ethyl esterSCHEMBL469310
Database identifiers
- PubChem CID
- 59253290
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 227
Related reactions
6 records
Compound notes
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