Basic information
- Standard SMILES
C=Cc1cc(NC(=O)OC(C)(C)C)c(N)cc1C(F)(F)F- InChIKey
BPBNFIQORGDFRH-UHFFFAOYSA-N- Molecular formula
- C14H17F3N2O2
- Average molar mass
- 302.29 g/mol
Names & identifiers
- Preferred name
- Carbamic acid,[2-amino-5-ethenyl-4-(trifluoromethyl)phenyl]-,1,1-dimethylethyl ester
- IUPAC
- tert-butyl N-[2-amino-5-ethenyl-4-(trifluoromethyl)phenyl]carbamate
Names & synonyms
carbamic acid,[2-amino-5-ethenyl-4-(trifluoromethyl)phenyl]-,1,1-dimethylethyl ester579474-64-9SCHEMBL5558080DB-388104tert-butyl (2-amino-4-(trifluoromethyl)-5-vinylphenyl)carbamate(2-Amino-4-trifluoromethyl-5-vinyl-phenyl)-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 69486994
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 391
Related reactions
7 records
Compound notes
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