2,2,2-Trifluoro-1-(2-ethyl-1,3-dithian-2-yl)ethanone

HCID 86648486
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Basic information

Standard SMILES
CCC1(C(=O)C(F)(F)F)SCCCS1
InChIKey
BOUCMLJTZMSUNM-UHFFFAOYSA-N
Molecular formula
C8H11F3OS2
Average molar mass
244.3 g/mol

Names & identifiers

Preferred name
2,2,2-Trifluoro-1-(2-ethyl-1,3-dithian-2-yl)ethanone
IUPAC
1-(2-ethyl-1,3-dithian-2-yl)-2,2,2-trifluoroethanone

Names & synonyms

2,2,2-Trifluoro-1-(2-ethyl-1,3-dithian-2-yl)ethanoneSCHEMBL2821866

Database identifiers

PubChem CID
86648486

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
67.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
14

Related reactions

4 records
New reaction record

Compound notes

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