8,8-difluoro-1,5,7,9,2,4-tetraoxadithiecane 2,2,4-trioxide

C4H6F2O7S2 — CID 134350665

IUPAC8,8-difluoro-1,5,7,9,2,4-tetraoxadithiecane 2,2,4-trioxide
SMILESO=S1CS(=O)(=O)OCOC(F)(F)OCO1
InChIInChI=1S/C4H6F2O7S2/c5-4(6)10-1-12-14(7)3-15(8,9)13-2-11-4/h1-3H2
InChIKeyAKCZIRXKDZXPIE-UHFFFAOYSA-N
MW268.21 g/mol
LogP-0.52
Rot. Bonds

About 8,8-difluoro-1,5,7,9,2,4-tetraoxadithiecane 2,2,4-trioxide

8,8-difluoro-1,5,7,9,2,4-tetraoxadithiecane 2,2,4-trioxide (PubChem CID 134350665) has the molecular formula C4H6F2O7S2 and a molecular weight of 268.21 g/mol. Its IUPAC name is 8,8-difluoro-1,5,7,9,2,4-tetraoxadithiecane 2,2,4-trioxide.

Molecular Properties

Compound Name8,8-difluoro-1,5,7,9,2,4-tetraoxadithiecane 2,2,4-trioxide
PubChem CID134350665
Molecular FormulaC4H6F2O7S2
Molecular Weight268.21 g/mol
Exact Mass267.95
IUPAC Name8,8-difluoro-1,5,7,9,2,4-tetraoxadithiecane 2,2,4-trioxide
SMILESO=S1CS(=O)(=O)OCOC(F)(F)OCO1
InChIInChI=1S/C4H6F2O7S2/c5-4(6)10-1-12-14(7)3-15(8,9)13-2-11-4/h1-3H2
InChIKeyAKCZIRXKDZXPIE-UHFFFAOYSA-N
XLogP-0.52
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.21
LogP ≤ 5-0.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

6,6,10,10-tetrafluoro-4,4-dihydroxy-1,5,7,9,2,4-tetraoxadithiecane 2,2-dioxide
CID 58781638
1,5,2,4-dioxadithiane 2,4-dioxide
CID 175483562
2,2,5-trifluoro-1,3-dioxane
CID 154222537
2,2,4,4-tetrafluoro-1,3-dioxane-5,5-diol
CID 89164183
4-fluoro-4-(trifluoromethyl)oxathietane 2,2-dioxide
CID 134896403
2,2-difluorooxirane
CID 19829575
3,3-dimethyl-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide
CID 58781649
2,2,4,4,5,5-hexafluoro-1,3-oxathiolane 3,3-dioxide
CID 23234533
4,4,5,5,6,6-hexafluoro-3,3-dihydroxydithiazinan-3-ium 1,1-dioxide
CID 174728763
1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide;4-fluoro-1,3-dioxolan-2-one
CID 175563848
7-oxa-8λ6-thiaspiro[4.5]decane 8,8-dioxide
CID 166880650
2,2,4,4,5,5,7,7,8,8,10,10,11,11,13,13,14,14,16,16,17,17,19,19,20,20-hexacosafluoro-1,3,6,9,12,15,18-heptaoxacycloicosane
CID 86282027

Frequently Asked Questions

What is the IUPAC name of 8,8-difluoro-1,5,7,9,2,4-tetraoxadithiecane 2,2,4-trioxide?
The IUPAC name of 8,8-difluoro-1,5,7,9,2,4-tetraoxadithiecane 2,2,4-trioxide (CID 134350665) is 8,8-difluoro-1,5,7,9,2,4-tetraoxadithiecane 2,2,4-trioxide.
What is the SMILES notation for 8,8-difluoro-1,5,7,9,2,4-tetraoxadithiecane 2,2,4-trioxide?
The canonical SMILES for 8,8-difluoro-1,5,7,9,2,4-tetraoxadithiecane 2,2,4-trioxide is O=S1CS(=O)(=O)OCOC(F)(F)OCO1.
What is the InChIKey of 8,8-difluoro-1,5,7,9,2,4-tetraoxadithiecane 2,2,4-trioxide?
The InChIKey is AKCZIRXKDZXPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2O7S2/c5-4(6)10-1-12-14(7)3-15(8,9)13-2-11-4/h1-3H2.
What are the key properties of 8,8-difluoro-1,5,7,9,2,4-tetraoxadithiecane 2,2,4-trioxide?
8,8-difluoro-1,5,7,9,2,4-tetraoxadithiecane 2,2,4-trioxide has a molecular weight of 268.21 g/mol, XLogP of -0.52, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-difluoro-1,5,7,9,2,4-tetraoxadithiecane 2,2,4-trioxide is sourced from PubChem (CID 134350665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).