4-(2-tert-Butyl-1,1-dioxido-3-oxoisothiazolidin-5-yl)-3-fluorobenzaldehyde

HCID 11616619
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Basic information

Standard SMILES
CC(C)(C)N1C(=O)CC(c2ccc(C=O)cc2F)S1(=O)=O
InChIKey
QQIJOOBUNWKEEI-UHFFFAOYSA-N
Molecular formula
C14H16FNO4S
Average molar mass
313.35 g/mol

Names & identifiers

Preferred name
4-(2-tert-Butyl-1,1-dioxido-3-oxoisothiazolidin-5-yl)-3-fluorobenzaldehyde
IUPAC
4-(2-tert-butyl-1,1,3-trioxo-1,2-thiazolidin-5-yl)-3-fluorobenzaldehyde

Names & synonyms

SCHEMBL5893471QQIJOOBUNWKEEI-UHFFFAOYSA-N4-(2-tert-Butyl-1,1-dioxido-3-oxoisothiazolidin-5-yl)-3-fluorobenzaldehyde

Database identifiers

PubChem CID
11616619

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
79.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
21

Related reactions

4 records
New reaction record

Linked notes

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4-(2-tert-Butyl-1,1-dioxido-3-oxoisothiazolidin-5-yl)-3-fluorobenzaldehyde (HCID 11616619)｜Huagongshe