ethyl 6-chloro-8-(5-chloro-1-pentynyl)-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylate

HCID 21883733
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Basic information

Standard SMILES
CCOC(=O)C1=Cc2cc(Cl)cc(C#CCCCCl)c2OC1C(F)(F)F
InChIKey
CUKSTMBNPDLEDL-UHFFFAOYSA-N
Molecular formula
C18H15Cl2F3O3
Average molar mass
407.2 g/mol
Monoisotopic mass
406.0350342

Names & identifiers

Preferred name
ethyl 6-chloro-8-(5-chloro-1-pentynyl)-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylate
IUPAC
ethyl 6-chloro-8-(5-chloropent-1-ynyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylate

Names & synonyms

ethyl 6-chloro-8-(5-chloro-1-pentynyl)-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylateSCHEMBL6092579

Database identifiers

PubChem CID
21883733

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
26

Related reactions

7 records
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Compound notes

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