3,3,4,4,5-pentafluoro-5-methyl-1,2,6-oxadithiane 2,2,6,6-tetraoxide

C4H3F5O5S2 — CID 163546247

IUPAC3,3,4,4,5-pentafluoro-5-methyl-1,2,6-oxadithiane 2,2,6,6-tetraoxide
SMILESCC1(F)C(F)(F)C(F)(F)S(=O)(=O)OS1(=O)=O
InChIInChI=1S/C4H3F5O5S2/c1-2(5)3(6,7)4(8,9)16(12,13)14-15(2,10)11/h1H3
InChIKeyMUGXUCQHUMUKPI-UHFFFAOYSA-N
MW290.19 g/mol
LogP0.59
Rot. Bonds

About 3,3,4,4,5-pentafluoro-5-methyl-1,2,6-oxadithiane 2,2,6,6-tetraoxide

3,3,4,4,5-pentafluoro-5-methyl-1,2,6-oxadithiane 2,2,6,6-tetraoxide (PubChem CID 163546247) has the molecular formula C4H3F5O5S2 and a molecular weight of 290.19 g/mol. Its IUPAC name is 3,3,4,4,5-pentafluoro-5-methyl-1,2,6-oxadithiane 2,2,6,6-tetraoxide.

Molecular Properties

Compound Name3,3,4,4,5-pentafluoro-5-methyl-1,2,6-oxadithiane 2,2,6,6-tetraoxide
PubChem CID163546247
Molecular FormulaC4H3F5O5S2
Molecular Weight290.19 g/mol
Exact Mass289.93
IUPAC Name3,3,4,4,5-pentafluoro-5-methyl-1,2,6-oxadithiane 2,2,6,6-tetraoxide
SMILESCC1(F)C(F)(F)C(F)(F)S(=O)(=O)OS1(=O)=O
InChIInChI=1S/C4H3F5O5S2/c1-2(5)3(6,7)4(8,9)16(12,13)14-15(2,10)11/h1H3
InChIKeyMUGXUCQHUMUKPI-UHFFFAOYSA-N
XLogP0.59
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3,3,4,4,5,5-hexafluoro-1,2,6-oxadithiane 2,2,6,6-tetraoxide
CID 20749597
3,3,4,4,5,5,6,6,7,7-decafluoro-1,2,8-oxadithiocane 2,2,8,8-tetraoxide
CID 54080609
4,4,5,5,6-pentafluoro-6-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide
CID 58341496
5,5,6,6-tetramethyl-1,3,2,4-dioxadithiane 2,2,4,4-tetraoxide
CID 71337149
1,1,2,2,3,3,4,4,5,6-decafluoro-5,6-dimethylcyclohexane
CID 22593150
4,4,5,5,6,6,7,7-octafluoro-2-methyl-1,3,2-dithiazepane 1,1,3,3-tetraoxide
CID 58997839
1,1-difluoro-2,2,3,3-tetramethylcyclopropane
CID 576606
3,4,4-trifluoro-3-[1,1,2,2-tetrafluoro-2-(3,4,4-trifluoro-2,2-dioxooxathietan-3-yl)ethyl]oxathietane 2,2-dioxide
CID 14203451
3,3,6-trimethyl-6-(trifluoromethyl)-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide
CID 130231783
3,3-dimethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide
CID 58781649
4,5-diethyl-4,5-dimethyl-1,3,2-dioxathiolane 2,2-dioxide
CID 146263627
2,2,4,4,5,5-hexafluoro-1,3-oxathiolane 3,3-dioxide
CID 23234533

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5-pentafluoro-5-methyl-1,2,6-oxadithiane 2,2,6,6-tetraoxide?
The IUPAC name of 3,3,4,4,5-pentafluoro-5-methyl-1,2,6-oxadithiane 2,2,6,6-tetraoxide (CID 163546247) is 3,3,4,4,5-pentafluoro-5-methyl-1,2,6-oxadithiane 2,2,6,6-tetraoxide.
What is the SMILES notation for 3,3,4,4,5-pentafluoro-5-methyl-1,2,6-oxadithiane 2,2,6,6-tetraoxide?
The canonical SMILES for 3,3,4,4,5-pentafluoro-5-methyl-1,2,6-oxadithiane 2,2,6,6-tetraoxide is CC1(F)C(F)(F)C(F)(F)S(=O)(=O)OS1(=O)=O.
What is the InChIKey of 3,3,4,4,5-pentafluoro-5-methyl-1,2,6-oxadithiane 2,2,6,6-tetraoxide?
The InChIKey is MUGXUCQHUMUKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F5O5S2/c1-2(5)3(6,7)4(8,9)16(12,13)14-15(2,10)11/h1H3.
What are the key properties of 3,3,4,4,5-pentafluoro-5-methyl-1,2,6-oxadithiane 2,2,6,6-tetraoxide?
3,3,4,4,5-pentafluoro-5-methyl-1,2,6-oxadithiane 2,2,6,6-tetraoxide has a molecular weight of 290.19 g/mol, XLogP of 0.59, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5-pentafluoro-5-methyl-1,2,6-oxadithiane 2,2,6,6-tetraoxide is sourced from PubChem (CID 163546247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).