2-[4-(4-Cyclohexyl-3-trifluoromethyl-benzylsulfanyl)-phenyl]-[1,3]dioxane

HCID 22057725
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Basic information

Standard SMILES
FC(F)(F)c1cc(CSc2ccc(C3OCCCO3)cc2)ccc1C1CCCCC1
InChIKey
ROFIBRLEHHQPBD-UHFFFAOYSA-N
Molecular formula
C24H27F3O2S
Average molar mass
436.5 g/mol

Names & identifiers

Preferred name
2-[4-(4-Cyclohexyl-3-trifluoromethyl-benzylsulfanyl)-phenyl]-[1,3]dioxane
IUPAC
2-[4-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methylsulfanyl]phenyl]-1,3-dioxane

Names & synonyms

2-[4-(4-cyclohexyl-3-trifluoromethyl-benzylsulfanyl)-phenyl]-[1,3]dioxaneSCHEMBL4666336

Database identifiers

PubChem CID
22057725

Properties

Computed structural properties

XLogP
7.1
Topological polar surface area
43.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
30

Related reactions

3 records
New reaction record

Compound notes

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