Basic information
- Standard SMILES
Cc1c(F)c(F)c(COC(=O)C(c2cnc(C(C)(C)C)nc2)C(C)(C)C)c(F)c1F- InChIKey
OHUAJDMDEMQDNS-UHFFFAOYSA-N- Molecular formula
- C22H26F4N2O2
- Average molar mass
- 426.4 g/mol
Names & identifiers
- Preferred name
- 2,3,5,6-tetrafluoro-4-methylbenzyl (RS)-2-[2-(1,1-dimethylethyl)pyrimidin-5-yl]-3,3-dimethylbutanoate
- IUPAC
- (2,3,5,6-tetrafluoro-4-methylphenyl)methyl 2-(2-tert-butylpyrimidin-5-yl)-3,3-dimethylbutanoate
Names & synonyms
OHUAJDMDEMQDNS-UHFFFAOYSA-N2,3,5,6-tetrafluoro-4-methylbenzyl (RS)-2-[2-(1,1-dimethylethyl)pyrimidin-5-yl]-3,3-dimethylbutanoate
Database identifiers
- PubChem CID
- 14718864
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 569
Related reactions
2 records
Compound notes
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