Tert-butyl 4'-methyl-5-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]biphenyl-3-carboxylate
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Basic information
- Standard SMILES
Cc1ccc(-c2cc(C(=O)OC(C)(C)C)cc(C(O)(C(F)(F)F)C(F)(F)F)c2)cc1- InChIKey
FIVGUTHFOXFZII-UHFFFAOYSA-N- Molecular formula
- C21H20F6O3
- Average molar mass
- 434.4 g/mol
- Monoisotopic mass
- 434.13166347
Names & identifiers
- Preferred name
- Tert-butyl 4'-methyl-5-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]biphenyl-3-carboxylate
- IUPAC
- tert-butyl 3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(4-methylphenyl)benzoate
Names & synonyms
tert-butyl 4'-methyl-5-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]biphenyl-3-carboxylateSCHEMBL3064229
Database identifiers
- PubChem CID
- 86646751
Properties
Computed structural propertiesFilling in
- XLogP
- 5.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 585
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Related reactions
4 records
Compound notes
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