Ethyl 7-(1,1-dimethylethyl)-2-(trifluoromethyl)-2h-1-benzopyran-3-carboxylate

HCID 21883685

Basic information

Standard SMILES
CCOC(=O)C1=Cc2ccc(C(C)(C)C)cc2OC1C(F)(F)F
InChIKey
DZGYIKNPAZUETF-UHFFFAOYSA-N
Molecular formula
C17H19F3O3
Average molar mass
328.33 g/mol
Monoisotopic mass
328.12862895

Names & identifiers

Preferred name
Ethyl 7-(1,1-dimethylethyl)-2-(trifluoromethyl)-2h-1-benzopyran-3-carboxylate
IUPAC
ethyl 7-tert-butyl-2-(trifluoromethyl)-2H-chromene-3-carboxylate

Names & synonyms

ethyl 7-(1,1-dimethylethyl)-2-(trifluoromethyl)-2h-1-benzopyran-3-carboxylateSCHEMBL6092049ethyl 7-(1.1-dimethylethyl)-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylate

Database identifiers

PubChem CID
21883685

Properties

Computed structural properties

XLogP
5
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
23

Related reactions

5 records

Compound notes

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