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

C6F10O6S2 — CID 14203451

IUPAC3,4,4-trifluoro-3-[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)(F)C1(F)C(F)(F)C(F)(F)C1(F)C(F)(F)OS1(=O)=O
InChIInChI=1S/C6F10O6S2/c7-1(8,3(11)5(13,14)21-23(3,17)18)2(9,10)4(12)6(15,16)22-24(4,19)20
InChIKeyAFGHGSSRMMDFAS-UHFFFAOYSA-N
MW422.17 g/mol
LogP1.49
Rot. Bonds3

About 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

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 (PubChem CID 14203451) has the molecular formula C6F10O6S2 and a molecular weight of 422.17 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3,4,4-trifluoro-3-[1,1,2,2-tetrafluoro-2-(3,4,4-trifluoro-2,2-dioxooxathietan-3-yl)ethyl]oxathietane 2,2-dioxide
PubChem CID14203451
Molecular FormulaC6F10O6S2
Molecular Weight422.17 g/mol
Exact Mass421.90
IUPAC Name3,4,4-trifluoro-3-[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)(F)C1(F)C(F)(F)C(F)(F)C1(F)C(F)(F)OS1(=O)=O
InChIInChI=1S/C6F10O6S2/c7-1(8,3(11)5(13,14)21-23(3,17)18)2(9,10)4(12)6(15,16)22-24(4,19)20
InChIKeyAFGHGSSRMMDFAS-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 3,4,4-trifluoro-3-[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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Related Compounds

1-(Nonafluorobutyl)trifluoroethanesultone
CID 13030143
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
(3S)-3,4,4-trifluoro-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxathietane 2,2-dioxide
CID 98073789
(3R)-3,4,4-trifluoro-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxathietane 2,2-dioxide
CID 98073791

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=S1(=O)OC(F)(F)C1(F)C(F)(F)C(F)(F)C1(F)C(F)(F)OS1(=O)=O.
What is the InChIKey of 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?
The InChIKey is AFGHGSSRMMDFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F10O6S2/c7-1(8,3(11)5(13,14)21-23(3,17)18)2(9,10)4(12)6(15,16)22-24(4,19)20.
What are the key properties of 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?
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 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 3,4,4-trifluoro-3-[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 14203451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).