6,6,10,10-tetrafluoro-4,4-dihydroxy-1,5,7,9,2,4-tetraoxadithiecane 2,2-dioxide

C4H6F4O8S2 — CID 58781638

IUPAC6,6,10,10-tetrafluoro-4,4-dihydroxy-1,5,7,9,2,4-tetraoxadithiecane 2,2-dioxide
SMILESO=S1(=O)CS(O)(O)OC(F)(F)OCOC(F)(F)O1
InChIInChI=1S/C4H6F4O8S2/c5-3(6)13-1-14-4(7,8)16-18(11,12)2-17(9,10)15-3/h9-10H,1-2H2
InChIKeyNONCCNFDZYCKER-UHFFFAOYSA-N
MW322.21 g/mol
LogP1.08
Rot. Bonds

About 6,6,10,10-tetrafluoro-4,4-dihydroxy-1,5,7,9,2,4-tetraoxadithiecane 2,2-dioxide

6,6,10,10-tetrafluoro-4,4-dihydroxy-1,5,7,9,2,4-tetraoxadithiecane 2,2-dioxide (PubChem CID 58781638) has the molecular formula C4H6F4O8S2 and a molecular weight of 322.21 g/mol. Its IUPAC name is 6,6,10,10-tetrafluoro-4,4-dihydroxy-1,5,7,9,2,4-tetraoxadithiecane 2,2-dioxide.

Molecular Properties

Compound Name6,6,10,10-tetrafluoro-4,4-dihydroxy-1,5,7,9,2,4-tetraoxadithiecane 2,2-dioxide
PubChem CID58781638
Molecular FormulaC4H6F4O8S2
Molecular Weight322.21 g/mol
Exact Mass321.94
IUPAC Name6,6,10,10-tetrafluoro-4,4-dihydroxy-1,5,7,9,2,4-tetraoxadithiecane 2,2-dioxide
SMILESO=S1(=O)CS(O)(O)OC(F)(F)OCOC(F)(F)O1
InChIInChI=1S/C4H6F4O8S2/c5-3(6)13-1-14-4(7,8)16-18(11,12)2-17(9,10)15-3/h9-10H,1-2H2
InChIKeyNONCCNFDZYCKER-UHFFFAOYSA-N
XLogP1.08
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6,6,10,10-tetrafluoro-4,4-dihydroxy-1,5,7,9,2,4-tetraoxadithiecane 2,2-dioxide with MolForge

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Related Compounds

2,2,4,4-tetrafluoro-1,3-dioxane-5,5-diol
CID 89164183
4-fluoro-4-(trifluoromethyl)oxathietane 2,2-dioxide
CID 134896403
8,8-difluoro-1,5,7,9,2,4-tetraoxadithiecane 2,2,4-trioxide
CID 134350665
4,4,5,5,6,6-hexafluoro-3,3-dihydroxydithiazinan-3-ium 1,1-dioxide
CID 174728763
3,3,4,4-tetrafluoro-2,2-dihydroxyoxathietane
CID 53411940
3,4,4-trifluoro-2-hydroxy-1-oxa-2λ6-thiacyclobut-2-ene 2-oxide
CID 123700396
2,2-dimethyl-1,3-dioxetane;2,2-dimethyl-1,3-dithietane;bis(2,2-dimethylpropane);propan-2-one
CID 158605090
2,2,4,4,5,5-hexafluoro-1,3-oxathiolane 3,3-dioxide
CID 23234533
lithium 4,4,5,5-tetrafluoro-1lambda6,3lambda6-dithia-2-azanidacyclopentane 1,1,3,3-tetraoxide
CID 14123337
4,4-difluoro-2-methyl-1,3-dioxolane-2-carbonyl fluoride
CID 89135258
2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)-1-thiomorpholin-4-ylethanone
CID 4115139
2,2,3,3,5,5-hexafluoro-1,4-dioxane
CID 11194916

Frequently Asked Questions

What is the IUPAC name of 6,6,10,10-tetrafluoro-4,4-dihydroxy-1,5,7,9,2,4-tetraoxadithiecane 2,2-dioxide?
The IUPAC name of 6,6,10,10-tetrafluoro-4,4-dihydroxy-1,5,7,9,2,4-tetraoxadithiecane 2,2-dioxide (CID 58781638) is 6,6,10,10-tetrafluoro-4,4-dihydroxy-1,5,7,9,2,4-tetraoxadithiecane 2,2-dioxide.
What is the SMILES notation for 6,6,10,10-tetrafluoro-4,4-dihydroxy-1,5,7,9,2,4-tetraoxadithiecane 2,2-dioxide?
The canonical SMILES for 6,6,10,10-tetrafluoro-4,4-dihydroxy-1,5,7,9,2,4-tetraoxadithiecane 2,2-dioxide is O=S1(=O)CS(O)(O)OC(F)(F)OCOC(F)(F)O1.
What is the InChIKey of 6,6,10,10-tetrafluoro-4,4-dihydroxy-1,5,7,9,2,4-tetraoxadithiecane 2,2-dioxide?
The InChIKey is NONCCNFDZYCKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F4O8S2/c5-3(6)13-1-14-4(7,8)16-18(11,12)2-17(9,10)15-3/h9-10H,1-2H2.
What are the key properties of 6,6,10,10-tetrafluoro-4,4-dihydroxy-1,5,7,9,2,4-tetraoxadithiecane 2,2-dioxide?
6,6,10,10-tetrafluoro-4,4-dihydroxy-1,5,7,9,2,4-tetraoxadithiecane 2,2-dioxide has a molecular weight of 322.21 g/mol, XLogP of 1.08, 0 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,10,10-tetrafluoro-4,4-dihydroxy-1,5,7,9,2,4-tetraoxadithiecane 2,2-dioxide is sourced from PubChem (CID 58781638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).