Methyl [[3'-fluoro-4'-[(1-methylethyl)sulfonyl]-5-(trifluoromethyl)[1,1'-biphenyl]-2-yl]oxy]acetate
Basic information
- Standard SMILES
COC(=O)COc1ccc(C(F)(F)F)cc1-c1ccc(S(=O)(=O)C(C)C)c(F)c1- InChIKey
QCMXEMHBCLEIGF-UHFFFAOYSA-N- Molecular formula
- C19H18F4O5S
- Average molar mass
- 434.4 g/mol
Names & identifiers
- Preferred name
- Methyl [[3'-fluoro-4'-[(1-methylethyl)sulfonyl]-5-(trifluoromethyl)[1,1'-biphenyl]-2-yl]oxy]acetate
- IUPAC
- methyl 2-[2-(3-fluoro-4-propan-2-ylsulfonylphenyl)-4-(trifluoromethyl)phenoxy]acetate
Names & synonyms
methyl [[3'-fluoro-4'-[(1-methylethyl)sulfonyl]-5-(trifluoromethyl)[1,1'-biphenyl]-2-yl]oxy]acetate
Database identifiers
- PubChem CID
- 91026486
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 658
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Related reactions
2 records
Compound notes
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