Propanoic acid, 2-methyl-2-(4-((trifluoromethyl)thio)phenoxy)-, ethyl ester
Basic information
- CAS
26002-56-2- Standard SMILES
CCOC(=O)C(C)(C)Oc1ccc(SC(F)(F)F)cc1- InChIKey
GWBHFBZFSWBXTD-UHFFFAOYSA-N- Molecular formula
- C13H15F3O3S
- Average molar mass
- 308.32 g/mol
- Monoisotopic mass
- 308.0694
Names & identifiers
- Preferred name
- Propanoic acid, 2-methyl-2-(4-((trifluoromethyl)thio)phenoxy)-, ethyl ester
- IUPAC
- ethyl 2-methyl-2-[4-(trifluoromethylsulfanyl)phenoxy]propanoate
Names & synonyms
26002-56-2Ethyl p-trifluoromethylthiophenoxyisobutyratePropanoic acid, 2-methyl-2-(4-((trifluoromethyl)thio)phenoxy)-, ethyl esterEthyl 2-methyl-2-(4-((trifluoromethyl)thio)phenoxy)propanoateDTXSID00180659Propanoic acid, 2-methyl-2-[4-[(trifluoromethyl)thio]phenoxy]-, ethyl esterRefChem:374757DTXCID90103150ethyl 2-methyl-2-{4-[(trifluoromethyl)sulfanyl]phenoxy}propanoateGWBHFBZFSWBXTD-UHFFFAOYSA-NPropanoic acid,2-methyl-2-[4-[(trifluoromethyl)thio]phenoxy]-, ethyl ester
Database identifiers
- CAS
26002-56-2- PubChem CID
- 213286
- DTXSID
DTXSID00180659
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 323
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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