Basic information
- Standard SMILES
COCCOCOc1ccc(NC(=O)OC(C)(C)C)c(C(=O)C(F)(F)F)c1- InChIKey
PJVOZCCMIAUVFZ-UHFFFAOYSA-N- Molecular formula
- C17H22F3NO6
- Average molar mass
- 393.4 g/mol
Names & identifiers
- Preferred name
- [4-(2-methoxy-ethoxymethoxy)-2-(2,2,2-trifluoro-acetyl)-phenyl]-carbamic Acid Tert-Butyl Ester
- IUPAC
- tert-butyl N-[4-(2-methoxyethoxymethoxy)-2-(2,2,2-trifluoroacetyl)phenyl]carbamate
Names & synonyms
[4-(2-methoxy-ethoxymethoxy)-2-(2,2,2-trifluoro-acetyl)-phenyl]-carbamic Acid Tert-Butyl EsterSCHEMBL3818591
Database identifiers
- PubChem CID
- 68801075
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 492
Related reactions
2 records
Compound notes
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