2,2,3,3,5,5-hexafluorothiolane 1,1-dioxide

C4H2F6O2S — CID 87128473

IUPAC2,2,3,3,5,5-hexafluorothiolane 1,1-dioxide
SMILESO=S1(=O)C(F)(F)CC(F)(F)C1(F)F
InChIInChI=1S/C4H2F6O2S/c5-2(6)1-3(7,8)13(11,12)4(2,9)10/h1H2
InChIKeyUYMJFOJMTCAMFD-UHFFFAOYSA-N
MW228.11 g/mol
LogP1.63
Rot. Bonds

About 2,2,3,3,5,5-hexafluorothiolane 1,1-dioxide

2,2,3,3,5,5-hexafluorothiolane 1,1-dioxide (PubChem CID 87128473) has the molecular formula C4H2F6O2S and a molecular weight of 228.11 g/mol. Its IUPAC name is 2,2,3,3,5,5-hexafluorothiolane 1,1-dioxide.

Molecular Properties

Compound Name2,2,3,3,5,5-hexafluorothiolane 1,1-dioxide
PubChem CID87128473
Molecular FormulaC4H2F6O2S
Molecular Weight228.11 g/mol
Exact Mass227.97
IUPAC Name2,2,3,3,5,5-hexafluorothiolane 1,1-dioxide
SMILESO=S1(=O)C(F)(F)CC(F)(F)C1(F)F
InChIInChI=1S/C4H2F6O2S/c5-2(6)1-3(7,8)13(11,12)4(2,9)10/h1H2
InChIKeyUYMJFOJMTCAMFD-UHFFFAOYSA-N
XLogP1.63
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.11
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,5,6,6-tetrafluoro-1λ6-thia-2-azanidacyclohexane 1,1-dioxide
CID 58040802
bis(2,2-difluoro-1-methylcyclopropyl)methanone
CID 19098833
2,2,4,4,5,5-hexafluoro-1,3-oxathiolane 3,3-dioxide
CID 23234533
3-(difluoromethyl)-2,2,5,5-tetrafluorothiolane 1,1-dioxide
CID 87128837
1,1-dichloro-2,2-difluorocyclopropane
CID 12637093
lithium 4,4,5,5-tetrafluoro-1lambda6,3lambda6-dithia-2-azanidacyclopentane 1,1,3,3-tetraoxide
CID 14123337
2,2,3,4,5,5-hexafluorothiophene 1,1-dioxide
CID 89312231
3,3,4,4,5,5-hexafluoro-1,2,6-oxadithiane 2,2,6,6-tetraoxide
CID 20749597
4,4-difluoro-3-methyl-1,1-dioxothiolan-3-amine
CID 105441489
1,3-difluorobicyclo[1.1.1]pentane
CID 86129482
2,2-difluoro-5-methyl-5-azaspiro[2.3]hexane
CID 129180153
3,3,4,4,5,5,6,6,7,7-decafluoro-1,2,8-oxadithiocane 2,2,8,8-tetraoxide
CID 54080609

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,5,5-hexafluorothiolane 1,1-dioxide?
The IUPAC name of 2,2,3,3,5,5-hexafluorothiolane 1,1-dioxide (CID 87128473) is 2,2,3,3,5,5-hexafluorothiolane 1,1-dioxide.
What is the SMILES notation for 2,2,3,3,5,5-hexafluorothiolane 1,1-dioxide?
The canonical SMILES for 2,2,3,3,5,5-hexafluorothiolane 1,1-dioxide is O=S1(=O)C(F)(F)CC(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3,5,5-hexafluorothiolane 1,1-dioxide?
The InChIKey is UYMJFOJMTCAMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F6O2S/c5-2(6)1-3(7,8)13(11,12)4(2,9)10/h1H2.
What are the key properties of 2,2,3,3,5,5-hexafluorothiolane 1,1-dioxide?
2,2,3,3,5,5-hexafluorothiolane 1,1-dioxide has a molecular weight of 228.11 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,5,5-hexafluorothiolane 1,1-dioxide is sourced from PubChem (CID 87128473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).