6,6-Difluoro-5-methyl-5-hexenyl benzo[1,2,5]thiadiazole-5-carboxylate

HCID 69180927
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Basic information

Standard SMILES
CC(CCCCOC(=O)c1ccc2nsnc2c1)=C(F)F
InChIKey
OXFDBIVYDFHIAS-UHFFFAOYSA-N
Molecular formula
C14H14F2N2O2S
Average molar mass
312.34 g/mol

Names & identifiers

Preferred name
6,6-Difluoro-5-methyl-5-hexenyl benzo[1,2,5]thiadiazole-5-carboxylate
IUPAC
(6,6-difluoro-5-methylhex-5-enyl) 2,1,3-benzothiadiazole-5-carboxylate

Names & synonyms

6,6-difluoro-5-methyl-5-hexenyl benzo[1,2,5]thiadiazole-5-carboxylateSCHEMBL4767258

Database identifiers

PubChem CID
69180927

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
80.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
21

Related reactions

2 records
New reaction record

Linked notes

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