Basic information
- Standard SMILES
CC(C)(COc1ccc(C=O)cc1F)NC(=O)OC(C)(C)C- InChIKey
WESWRHQVPBUTFE-UHFFFAOYSA-N- Molecular formula
- C16H22FNO4
- Average molar mass
- 311.35 g/mol
Names & identifiers
- Preferred name
- Tert-butyl[2-(2-fluoro-4-formylphenoxy)-1,1-dimethylethyl]carbamate
- IUPAC
- tert-butyl N-[1-(2-fluoro-4-formylphenoxy)-2-methylpropan-2-yl]carbamate
Names & synonyms
SCHEMBL2741680WESWRHQVPBUTFE-UHFFFAOYSA-Ntert-butyl[2-(2-fluoro-4-formylphenoxy)-1,1-dimethylethyl]carbamatetert-Butyl [2-(2-fluoro-4-formylphenoxy)-1,1-dimethylethyl]carbamate
Database identifiers
- PubChem CID
- 57934591
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 392
Related reactions
10 records
Compound notes
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