Basic information
- Standard SMILES
CC(C)(C)OC(=O)Nc1cc(C(F)(F)F)c(Cl)cc1N- InChIKey
LIZHORPIFTUBCO-UHFFFAOYSA-N- Molecular formula
- C12H14ClF3N2O2
- Average molar mass
- 310.7 g/mol
- Monoisotopic mass
- 310.0695899
Names & identifiers
- Preferred name
- (2-Amino-4-chloro-5-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[2-amino-4-chloro-5-(trifluoromethyl)phenyl]carbamate
Names & synonyms
(2-Amino-4-chloro-5-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester579474-56-9SCHEMBL5558133DB-388105tert-butyl (2-amino-4-chloro-5-(trifluoromethyl)phenyl)carbamate
Database identifiers
- PubChem CID
- 69487014
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 358
Related reactions
13 records
Linked notes
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