2,2,3,4,5-pentafluorothiolane 1,1-dioxide;2,3,3,4,4-pentafluorothiolane 1,1-dioxide

C8H6F10O4S2 — CID 118020485

IUPAC2,2,3,4,5-pentafluorothiolane 1,1-dioxide;2,3,3,4,4-pentafluorothiolane 1,1-dioxide
SMILESO=S1(=O)C(F)C(F)C(F)C1(F)F.O=S1(=O)CC(F)(F)C(F)(F)C1F
InChIInChI=1S/2C4H3F5O2S/c5-2-4(8,9)3(6,7)1-12(2,10)11;5-1-2(6)4(8,9)12(10,11)3(1)7/h2H,1H2;1-3H
InChIKeyBLZZEXGSKYCGFG-UHFFFAOYSA-N
MW420.25 g/mol
LogP1.96
Rot. Bonds

About 2,2,3,4,5-pentafluorothiolane 1,1-dioxide;2,3,3,4,4-pentafluorothiolane 1,1-dioxide

2,2,3,4,5-pentafluorothiolane 1,1-dioxide;2,3,3,4,4-pentafluorothiolane 1,1-dioxide (PubChem CID 118020485) has the molecular formula C8H6F10O4S2 and a molecular weight of 420.25 g/mol. Its IUPAC name is 2,2,3,4,5-pentafluorothiolane 1,1-dioxide;2,3,3,4,4-pentafluorothiolane 1,1-dioxide.

Molecular Properties

Compound Name2,2,3,4,5-pentafluorothiolane 1,1-dioxide;2,3,3,4,4-pentafluorothiolane 1,1-dioxide
PubChem CID118020485
Molecular FormulaC8H6F10O4S2
Molecular Weight420.25 g/mol
Exact Mass419.95
IUPAC Name2,2,3,4,5-pentafluorothiolane 1,1-dioxide;2,3,3,4,4-pentafluorothiolane 1,1-dioxide
SMILESO=S1(=O)C(F)C(F)C(F)C1(F)F.O=S1(=O)CC(F)(F)C(F)(F)C1F
InChIInChI=1S/2C4H3F5O2S/c5-2-4(8,9)3(6,7)1-12(2,10)11;5-1-2(6)4(8,9)12(10,11)3(1)7/h2H,1H2;1-3H
InChIKeyBLZZEXGSKYCGFG-UHFFFAOYSA-N
XLogP1.96
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.25
LogP ≤ 51.96
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 2,2,3,4,5-pentafluorothiolane 1,1-dioxide;2,3,3,4,4-pentafluorothiolane 1,1-dioxide?
The IUPAC name of 2,2,3,4,5-pentafluorothiolane 1,1-dioxide;2,3,3,4,4-pentafluorothiolane 1,1-dioxide (CID 118020485) is 2,2,3,4,5-pentafluorothiolane 1,1-dioxide;2,3,3,4,4-pentafluorothiolane 1,1-dioxide.
What is the SMILES notation for 2,2,3,4,5-pentafluorothiolane 1,1-dioxide;2,3,3,4,4-pentafluorothiolane 1,1-dioxide?
The canonical SMILES for 2,2,3,4,5-pentafluorothiolane 1,1-dioxide;2,3,3,4,4-pentafluorothiolane 1,1-dioxide is O=S1(=O)C(F)C(F)C(F)C1(F)F.O=S1(=O)CC(F)(F)C(F)(F)C1F.
What is the InChIKey of 2,2,3,4,5-pentafluorothiolane 1,1-dioxide;2,3,3,4,4-pentafluorothiolane 1,1-dioxide?
The InChIKey is BLZZEXGSKYCGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H3F5O2S/c5-2-4(8,9)3(6,7)1-12(2,10)11;5-1-2(6)4(8,9)12(10,11)3(1)7/h2H,1H2;1-3H.
What are the key properties of 2,2,3,4,5-pentafluorothiolane 1,1-dioxide;2,3,3,4,4-pentafluorothiolane 1,1-dioxide?
2,2,3,4,5-pentafluorothiolane 1,1-dioxide;2,3,3,4,4-pentafluorothiolane 1,1-dioxide has a molecular weight of 420.25 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,4,5-pentafluorothiolane 1,1-dioxide;2,3,3,4,4-pentafluorothiolane 1,1-dioxide is sourced from PubChem (CID 118020485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).