Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CC(COc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1- InChIKey
HMVNTDXHMIZNJR-UHFFFAOYSA-N- Molecular formula
- C16H19F3N2O5
- Average molar mass
- 376.33 g/mol
Names & identifiers
- Preferred name
- 1-Boc-3-(3-nitro-5-trifluoromethyl-phenoxymethyl)-azetidine
- IUPAC
- tert-butyl 3-[[3-nitro-5-(trifluoromethyl)phenoxy]methyl]azetidine-1-carboxylate
Names & synonyms
1-Boc-3-(3-nitro-5-trifluoromethyl-phenoxymethyl)-azetidineSCHEMBL4110060DB-419301tert-butyl 3-((3-nitro-5-(trifluoromethyl)phenoxy)methyl)azetidine-1-carboxylate453560-90-2
Database identifiers
- PubChem CID
- 22249408
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 84.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 523
Related reactions
5 records
Compound notes
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