5-(trifluoromethylsulfanyl)-1,3-benzodioxole

C8H5F3O2S — CID 117035921

IUPAC5-(trifluoromethylsulfanyl)-1,3-benzodioxole
SMILESFC(F)(F)Sc1ccc2c(c1)OCO2
InChIInChI=1S/C8H5F3O2S/c9-8(10,11)14-5-1-2-6-7(3-5)13-4-12-6/h1-3H,4H2
InChIKeyARZXKUVIIYOXIZ-UHFFFAOYSA-N
MW222.19 g/mol
LogP3.03
Rot. Bonds1

About 5-(trifluoromethylsulfanyl)-1,3-benzodioxole

5-(trifluoromethylsulfanyl)-1,3-benzodioxole (PubChem CID 117035921) has the molecular formula C8H5F3O2S and a molecular weight of 222.19 g/mol. Its IUPAC name is 5-(trifluoromethylsulfanyl)-1,3-benzodioxole.

Molecular Properties

Compound Name5-(trifluoromethylsulfanyl)-1,3-benzodioxole
PubChem CID117035921
Molecular FormulaC8H5F3O2S
Molecular Weight222.19 g/mol
Exact Mass222.00
IUPAC Name5-(trifluoromethylsulfanyl)-1,3-benzodioxole
SMILESFC(F)(F)Sc1ccc2c(c1)OCO2
InChIInChI=1S/C8H5F3O2S/c9-8(10,11)14-5-1-2-6-7(3-5)13-4-12-6/h1-3H,4H2
InChIKeyARZXKUVIIYOXIZ-UHFFFAOYSA-N
XLogP3.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-benzodioxol-5-ylsulfanyl)propan-2-ol
CID 117034555
3-(1,3-benzodioxol-5-ylsulfanyl)-3-methylbutanoic acid
CID 117033515
5-(4-methylphenyl)sulfanyl-1,3-benzodioxole
CID 18712803
N-(1,3-benzodioxol-5-yl)-N-[[3-(trifluoromethylsulfanyl)phenyl]carbamoyl]formamide
CID 87890265
5-[(1S)-1-(trifluoromethylsulfanyl)ethyl]-1,3-benzodioxole
CID 125475568
5-(1,1-difluoroethyl)-1,3-benzodioxole
CID 116841522
1-(1,3-benzodioxol-5-ylmethylamino)-3-[4-(trifluoromethylsulfanyl)phenoxy]propan-2-ol
CID 2809887
(4R)-6-(trifluoromethylsulfanyl)-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252358
5-(2,2,2-trifluoroethyl)-1,3-benzodioxole
CID 116932124
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2,2-difluoroacetohydrazide
CID 55212722
N-(1,3-benzodioxol-5-ylsulfanylmethyl)ethanamine
CID 117032861
3-(1,3-benzodioxol-5-ylsulfanyl)cyclobutan-1-amine
CID 117033284

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethylsulfanyl)-1,3-benzodioxole?
The IUPAC name of 5-(trifluoromethylsulfanyl)-1,3-benzodioxole (CID 117035921) is 5-(trifluoromethylsulfanyl)-1,3-benzodioxole.
What is the SMILES notation for 5-(trifluoromethylsulfanyl)-1,3-benzodioxole?
The canonical SMILES for 5-(trifluoromethylsulfanyl)-1,3-benzodioxole is FC(F)(F)Sc1ccc2c(c1)OCO2.
What is the InChIKey of 5-(trifluoromethylsulfanyl)-1,3-benzodioxole?
The InChIKey is ARZXKUVIIYOXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3O2S/c9-8(10,11)14-5-1-2-6-7(3-5)13-4-12-6/h1-3H,4H2.
What are the key properties of 5-(trifluoromethylsulfanyl)-1,3-benzodioxole?
5-(trifluoromethylsulfanyl)-1,3-benzodioxole has a molecular weight of 222.19 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethylsulfanyl)-1,3-benzodioxole is sourced from PubChem (CID 117035921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).