3,3,4-trifluoro-4-[1,1,2,2-tetrafluoro-2-(3,4,4-trifluoro-2,2-dioxooxathietan-3-yl)ethyl]oxathietane 2,2-dioxide

C6F10O6S2 — CID 88869456

IUPAC3,3,4-trifluoro-4-[1,1,2,2-tetrafluoro-2-(3,4,4-trifluoro-2,2-dioxooxathietan-3-yl)ethyl]oxathietane 2,2-dioxide
SMILESO=S1(=O)OC(F)(C(F)(F)C(F)(F)C2(F)C(F)(F)OS2(=O)=O)C1(F)F
InChIInChI=1S/C6F10O6S2/c7-1(8,3(11)6(15,16)24(19,20)21-3)2(9,10)4(12)5(13,14)22-23(4,17)18
InChIKeyNVCPILXGYDZSSZ-UHFFFAOYSA-N
MW422.17 g/mol
LogP1.49
Rot. Bonds3

About 3,3,4-trifluoro-4-[1,1,2,2-tetrafluoro-2-(3,4,4-trifluoro-2,2-dioxooxathietan-3-yl)ethyl]oxathietane 2,2-dioxide

3,3,4-trifluoro-4-[1,1,2,2-tetrafluoro-2-(3,4,4-trifluoro-2,2-dioxooxathietan-3-yl)ethyl]oxathietane 2,2-dioxide (PubChem CID 88869456) has the molecular formula C6F10O6S2 and a molecular weight of 422.17 g/mol. Its IUPAC name is 3,3,4-trifluoro-4-[1,1,2,2-tetrafluoro-2-(3,4,4-trifluoro-2,2-dioxooxathietan-3-yl)ethyl]oxathietane 2,2-dioxide.

Molecular Properties

Compound Name3,3,4-trifluoro-4-[1,1,2,2-tetrafluoro-2-(3,4,4-trifluoro-2,2-dioxooxathietan-3-yl)ethyl]oxathietane 2,2-dioxide
PubChem CID88869456
Molecular FormulaC6F10O6S2
Molecular Weight422.17 g/mol
Exact Mass421.90
IUPAC Name3,3,4-trifluoro-4-[1,1,2,2-tetrafluoro-2-(3,4,4-trifluoro-2,2-dioxooxathietan-3-yl)ethyl]oxathietane 2,2-dioxide
SMILESO=S1(=O)OC(F)(C(F)(F)C(F)(F)C2(F)C(F)(F)OS2(=O)=O)C1(F)F
InChIInChI=1S/C6F10O6S2/c7-1(8,3(11)6(15,16)24(19,20)21-3)2(9,10)4(12)5(13,14)22-23(4,17)18
InChIKeyNVCPILXGYDZSSZ-UHFFFAOYSA-N
XLogP1.49
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.17
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3,3,4-trifluoro-4-[1,1,2,2-tetrafluoro-2-(3,4,4-trifluoro-2,2-dioxooxathietan-3-yl)ethyl]oxathietane 2,2-dioxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,3,4-trifluoro-4-[1,1,2,2-tetrafluoro-2-(3,4,4-trifluoro-2,2-dioxooxathietan-3-yl)ethyl]oxathietane 2,2-dioxide?
The IUPAC name of 3,3,4-trifluoro-4-[1,1,2,2-tetrafluoro-2-(3,4,4-trifluoro-2,2-dioxooxathietan-3-yl)ethyl]oxathietane 2,2-dioxide (CID 88869456) is 3,3,4-trifluoro-4-[1,1,2,2-tetrafluoro-2-(3,4,4-trifluoro-2,2-dioxooxathietan-3-yl)ethyl]oxathietane 2,2-dioxide.
What is the SMILES notation for 3,3,4-trifluoro-4-[1,1,2,2-tetrafluoro-2-(3,4,4-trifluoro-2,2-dioxooxathietan-3-yl)ethyl]oxathietane 2,2-dioxide?
The canonical SMILES for 3,3,4-trifluoro-4-[1,1,2,2-tetrafluoro-2-(3,4,4-trifluoro-2,2-dioxooxathietan-3-yl)ethyl]oxathietane 2,2-dioxide is O=S1(=O)OC(F)(C(F)(F)C(F)(F)C2(F)C(F)(F)OS2(=O)=O)C1(F)F.
What is the InChIKey of 3,3,4-trifluoro-4-[1,1,2,2-tetrafluoro-2-(3,4,4-trifluoro-2,2-dioxooxathietan-3-yl)ethyl]oxathietane 2,2-dioxide?
The InChIKey is NVCPILXGYDZSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F10O6S2/c7-1(8,3(11)6(15,16)24(19,20)21-3)2(9,10)4(12)5(13,14)22-23(4,17)18.
What are the key properties of 3,3,4-trifluoro-4-[1,1,2,2-tetrafluoro-2-(3,4,4-trifluoro-2,2-dioxooxathietan-3-yl)ethyl]oxathietane 2,2-dioxide?
3,3,4-trifluoro-4-[1,1,2,2-tetrafluoro-2-(3,4,4-trifluoro-2,2-dioxooxathietan-3-yl)ethyl]oxathietane 2,2-dioxide has a molecular weight of 422.17 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-trifluoro-4-[1,1,2,2-tetrafluoro-2-(3,4,4-trifluoro-2,2-dioxooxathietan-3-yl)ethyl]oxathietane 2,2-dioxide is sourced from PubChem (CID 88869456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).