(2-Amino-4-chloro-5-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester

HCID 69487014

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

Related reactions

13 records

Linked notes

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