2,2,3,3-tetrafluoro-6-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)thiane 1,1-dioxide

C8H5F11O4S2 — CID 87527670

IUPAC2,2,3,3-tetrafluoro-6-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)thiane 1,1-dioxide
SMILESO=S1(=O)C(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC(F)(F)C1(F)F
InChIInChI=1S/C8H5F11O4S2/c9-4(10)2-1-3(24(20,21)7(4,16)17)25(22,23)8(18,19)5(11,12)6(13,14)15/h3H,1-2H2
InChIKeyWHFFWCLDYLBHJM-UHFFFAOYSA-N
MW438.24 g/mol
LogP2.95
Rot. Bonds3

About 2,2,3,3-tetrafluoro-6-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)thiane 1,1-dioxide

2,2,3,3-tetrafluoro-6-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)thiane 1,1-dioxide (PubChem CID 87527670) has the molecular formula C8H5F11O4S2 and a molecular weight of 438.24 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-6-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)thiane 1,1-dioxide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-6-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)thiane 1,1-dioxide
PubChem CID87527670
Molecular FormulaC8H5F11O4S2
Molecular Weight438.24 g/mol
Exact Mass437.95
IUPAC Name2,2,3,3-tetrafluoro-6-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)thiane 1,1-dioxide
SMILESO=S1(=O)C(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC(F)(F)C1(F)F
InChIInChI=1S/C8H5F11O4S2/c9-4(10)2-1-3(24(20,21)7(4,16)17)25(22,23)8(18,19)5(11,12)6(13,14)15/h3H,1-2H2
InChIKeyWHFFWCLDYLBHJM-UHFFFAOYSA-N
XLogP2.95
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.24
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-6-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)thiane 1,1-dioxide?
The IUPAC name of 2,2,3,3-tetrafluoro-6-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)thiane 1,1-dioxide (CID 87527670) is 2,2,3,3-tetrafluoro-6-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)thiane 1,1-dioxide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-6-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)thiane 1,1-dioxide?
The canonical SMILES for 2,2,3,3-tetrafluoro-6-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)thiane 1,1-dioxide is O=S1(=O)C(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-6-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)thiane 1,1-dioxide?
The InChIKey is WHFFWCLDYLBHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F11O4S2/c9-4(10)2-1-3(24(20,21)7(4,16)17)25(22,23)8(18,19)5(11,12)6(13,14)15/h3H,1-2H2.
What are the key properties of 2,2,3,3-tetrafluoro-6-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)thiane 1,1-dioxide?
2,2,3,3-tetrafluoro-6-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)thiane 1,1-dioxide has a molecular weight of 438.24 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-6-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)thiane 1,1-dioxide is sourced from PubChem (CID 87527670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).