3,4,4-trifluoro-3-(1,1,2,2,3,3,4,4-octafluorobutyl)oxathietane 2,2-dioxide

C6HF11O3S — CID 11279916

IUPAC3,4,4-trifluoro-3-(1,1,2,2,3,3,4,4-octafluorobutyl)oxathietane 2,2-dioxide
SMILESO=S1(=O)OC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C6HF11O3S/c7-1(8)2(9,10)3(11,12)4(13,14)5(15)6(16,17)20-21(5,18)19/h1H
InChIKeyWIQMUYBXXSTXIF-UHFFFAOYSA-N
MW362.12 g/mol
LogP2.78
Rot. Bonds4

About 3,4,4-trifluoro-3-(1,1,2,2,3,3,4,4-octafluorobutyl)oxathietane 2,2-dioxide

3,4,4-trifluoro-3-(1,1,2,2,3,3,4,4-octafluorobutyl)oxathietane 2,2-dioxide (PubChem CID 11279916) has the molecular formula C6HF11O3S and a molecular weight of 362.12 g/mol. Its IUPAC name is 3,4,4-trifluoro-3-(1,1,2,2,3,3,4,4-octafluorobutyl)oxathietane 2,2-dioxide.

Molecular Properties

Compound Name3,4,4-trifluoro-3-(1,1,2,2,3,3,4,4-octafluorobutyl)oxathietane 2,2-dioxide
PubChem CID11279916
Molecular FormulaC6HF11O3S
Molecular Weight362.12 g/mol
Exact Mass361.95
IUPAC Name3,4,4-trifluoro-3-(1,1,2,2,3,3,4,4-octafluorobutyl)oxathietane 2,2-dioxide
SMILESO=S1(=O)OC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C6HF11O3S/c7-1(8)2(9,10)3(11,12)4(13,14)5(15)6(16,17)20-21(5,18)19/h1H
InChIKeyWIQMUYBXXSTXIF-UHFFFAOYSA-N
XLogP2.78
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.12
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4,4-trifluoro-3-(1,1,2,2,3,3,4,4-octafluorobutyl)oxathietane 2,2-dioxide?
The IUPAC name of 3,4,4-trifluoro-3-(1,1,2,2,3,3,4,4-octafluorobutyl)oxathietane 2,2-dioxide (CID 11279916) is 3,4,4-trifluoro-3-(1,1,2,2,3,3,4,4-octafluorobutyl)oxathietane 2,2-dioxide.
What is the SMILES notation for 3,4,4-trifluoro-3-(1,1,2,2,3,3,4,4-octafluorobutyl)oxathietane 2,2-dioxide?
The canonical SMILES for 3,4,4-trifluoro-3-(1,1,2,2,3,3,4,4-octafluorobutyl)oxathietane 2,2-dioxide is O=S1(=O)OC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 3,4,4-trifluoro-3-(1,1,2,2,3,3,4,4-octafluorobutyl)oxathietane 2,2-dioxide?
The InChIKey is WIQMUYBXXSTXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF11O3S/c7-1(8)2(9,10)3(11,12)4(13,14)5(15)6(16,17)20-21(5,18)19/h1H.
What are the key properties of 3,4,4-trifluoro-3-(1,1,2,2,3,3,4,4-octafluorobutyl)oxathietane 2,2-dioxide?
3,4,4-trifluoro-3-(1,1,2,2,3,3,4,4-octafluorobutyl)oxathietane 2,2-dioxide has a molecular weight of 362.12 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trifluoro-3-(1,1,2,2,3,3,4,4-octafluorobutyl)oxathietane 2,2-dioxide is sourced from PubChem (CID 11279916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).