Basic information
- Standard SMILES
COC(=O)NCC(NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1- InChIKey
RMGLNLUDYMTOIT-UHFFFAOYSA-N- Molecular formula
- C16H21F3N2O4
- Average molar mass
- 362.34 g/mol
Names & identifiers
- Preferred name
- tert-Butyl methyl {1-[3-(trifluoromethyl)phenyl]ethane-1,2-diyl}biscarbamate
- IUPAC
- tert-butyl N-[2-(methoxycarbonylamino)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamate
Names & synonyms
tert-Butyl methyl {1-[3-(trifluoromethyl)phenyl]ethane-1,2-diyl}biscarbamateSCHEMBL10217058
Database identifiers
- PubChem CID
- 59536898
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 463
Related reactions
3 records
Compound notes
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