{2-Methyl-4-[3-(4-trifluoromethyl-phenyl)-prop-2-ynylsulfanyl]-phenoxy}-acetic acid tert-butyl ester
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Basic information
- Standard SMILES
Cc1cc(SCC#Cc2ccc(C(F)(F)F)cc2)ccc1OCC(=O)OC(C)(C)C- InChIKey
SQGSPHZPSQHLTF-UHFFFAOYSA-N- Molecular formula
- C23H23F3O3S
- Average molar mass
- 436.5 g/mol
Names & identifiers
- Preferred name
- {2-Methyl-4-[3-(4-trifluoromethyl-phenyl)-prop-2-ynylsulfanyl]-phenoxy}-acetic acid tert-butyl ester
- IUPAC
- tert-butyl 2-[2-methyl-4-[3-[4-(trifluoromethyl)phenyl]prop-2-ynylsulfanyl]phenoxy]acetate
Names & synonyms
{2-Methyl-4-[3-(4-trifluoromethyl-phenyl)-prop-2-ynylsulfanyl]-phenoxy}-acetic acid tert-butyl esterSCHEMBL5481913
Database identifiers
- PubChem CID
- 69458063
Properties
Computed structural propertiesFilling in
- XLogP
- 6.4
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 621
Related reactions
4 records
Compound notes
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