2-tert-Butyl-5-[4-(dibromomethyl)-2-fluorophenyl]isothiazolidin-3-one 1,1-dioxide

HCID 11633923
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Basic information

Standard SMILES
CC(C)(C)N1C(=O)CC(c2ccc(C(Br)Br)cc2F)S1(=O)=O
InChIKey
GNVPBJZEDDNEEQ-UHFFFAOYSA-N
Molecular formula
C14H16Br2FNO3S
Average molar mass
457.2 g/mol

Names & identifiers

Preferred name
2-tert-Butyl-5-[4-(dibromomethyl)-2-fluorophenyl]isothiazolidin-3-one 1,1-dioxide
IUPAC
2-tert-butyl-5-[4-(dibromomethyl)-2-fluorophenyl]-1,1-dioxo-1,2-thiazolidin-3-one

Names & synonyms

SCHEMBL5892829GNVPBJZEDDNEEQ-UHFFFAOYSA-N2-tert-Butyl-5-[4-(dibromomethyl)-2-fluorophenyl]isothiazolidin-3-one 1,1-dioxide

Database identifiers

PubChem CID
11633923

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
62.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
22

Related reactions

2 records
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Compound notes

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