2,2,3,3,4,4,5,5-octafluorothiolane

C4F8S — CID 12705729

IUPAC2,2,3,3,4,4,5,5-octafluorothiolane
SMILESFC1(F)SC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C4F8S/c5-1(6)2(7,8)4(11,12)13-3(1,9)10
InChIKeyJUTLAXFVSZJSHM-UHFFFAOYSA-N
MW232.09 g/mol
LogP3.19
Rot. Bonds

About 2,2,3,3,4,4,5,5-octafluorothiolane

2,2,3,3,4,4,5,5-octafluorothiolane (PubChem CID 12705729) has the molecular formula C4F8S and a molecular weight of 232.09 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5-octafluorothiolane.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5-octafluorothiolane
PubChem CID12705729
Molecular FormulaC4F8S
Molecular Weight232.09 g/mol
Exact Mass231.96
IUPAC Name2,2,3,3,4,4,5,5-octafluorothiolane
SMILESFC1(F)SC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C4F8S/c5-1(6)2(7,8)4(11,12)13-3(1,9)10
InChIKeyJUTLAXFVSZJSHM-UHFFFAOYSA-N
XLogP3.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.09
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,4,4-hexafluorothietane
CID 567761
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15-triacontafluorocyclopentadecane
CID 162355786
1,1-difluoro-2,2,3,3-tetramethylcyclopropane
CID 576606
1,4-dibromo-1,2,2,3,3,4,5,5,6,6-decafluorocyclohexane
CID 71412615
1,1,2,2,3,4,4,5-octafluoro-3,5-dimethylcyclopentane
CID 89333717
1,1,2,2,3,3,4,4,5,6-decafluoro-5,6-dimethylcyclohexane
CID 22593150
1,1-difluoro-2,2,3,3,4,4,5,5,6,6-decamethylcyclohexane
CID 68649915
2,2,5,5-tetrafluorothiophene
CID 12916665
2,2,4,4,5,5,6,6-octafluoro-1,3-dioxane
CID 22497786
4,4-difluoro-3,3,5,5-tetramethylcyclopentene;ethane
CID 144730530
1,2,2,3,4,4,5,6,6,7,8,8,9,9-tetradecafluoro-10,10-dimethyladamantane
CID 87665387
hexafluoro-λ6-sulfane;1,1,2,2,3,3,4,4-octafluorocyclobutane
CID 174484392

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5-octafluorothiolane?
The IUPAC name of 2,2,3,3,4,4,5,5-octafluorothiolane (CID 12705729) is 2,2,3,3,4,4,5,5-octafluorothiolane.
What is the SMILES notation for 2,2,3,3,4,4,5,5-octafluorothiolane?
The canonical SMILES for 2,2,3,3,4,4,5,5-octafluorothiolane is FC1(F)SC(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5-octafluorothiolane?
The InChIKey is JUTLAXFVSZJSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F8S/c5-1(6)2(7,8)4(11,12)13-3(1,9)10.
What are the key properties of 2,2,3,3,4,4,5,5-octafluorothiolane?
2,2,3,3,4,4,5,5-octafluorothiolane has a molecular weight of 232.09 g/mol, XLogP of 3.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5-octafluorothiolane is sourced from PubChem (CID 12705729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).