4,4,5,5-tetrafluoro-1,3-dioxolane-2-thione

C3F4O2S — CID 59128183

IUPAC4,4,5,5-tetrafluoro-1,3-dioxolane-2-thione
SMILESFC1(F)OC(=S)OC1(F)F
InChIInChI=1S/C3F4O2S/c4-2(5)3(6,7)9-1(10)8-2
InChIKeyRDKBBDRBIQJSIR-UHFFFAOYSA-N
MW176.09 g/mol
LogP1.50
Rot. Bonds

About 4,4,5,5-tetrafluoro-1,3-dioxolane-2-thione

4,4,5,5-tetrafluoro-1,3-dioxolane-2-thione (PubChem CID 59128183) has the molecular formula C3F4O2S and a molecular weight of 176.09 g/mol. Its IUPAC name is 4,4,5,5-tetrafluoro-1,3-dioxolane-2-thione.

Molecular Properties

Compound Name4,4,5,5-tetrafluoro-1,3-dioxolane-2-thione
PubChem CID59128183
Molecular FormulaC3F4O2S
Molecular Weight176.09 g/mol
Exact Mass175.96
IUPAC Name4,4,5,5-tetrafluoro-1,3-dioxolane-2-thione
SMILESFC1(F)OC(=S)OC1(F)F
InChIInChI=1S/C3F4O2S/c4-2(5)3(6,7)9-1(10)8-2
InChIKeyRDKBBDRBIQJSIR-UHFFFAOYSA-N
XLogP1.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.09
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,4,4,5,5-Hexafluoro-1,3-dioxolane
CID 23234846

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetrafluoro-1,3-dioxolane-2-thione?
The IUPAC name of 4,4,5,5-tetrafluoro-1,3-dioxolane-2-thione (CID 59128183) is 4,4,5,5-tetrafluoro-1,3-dioxolane-2-thione.
What is the SMILES notation for 4,4,5,5-tetrafluoro-1,3-dioxolane-2-thione?
The canonical SMILES for 4,4,5,5-tetrafluoro-1,3-dioxolane-2-thione is FC1(F)OC(=S)OC1(F)F.
What is the InChIKey of 4,4,5,5-tetrafluoro-1,3-dioxolane-2-thione?
The InChIKey is RDKBBDRBIQJSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F4O2S/c4-2(5)3(6,7)9-1(10)8-2.
What are the key properties of 4,4,5,5-tetrafluoro-1,3-dioxolane-2-thione?
4,4,5,5-tetrafluoro-1,3-dioxolane-2-thione has a molecular weight of 176.09 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetrafluoro-1,3-dioxolane-2-thione is sourced from PubChem (CID 59128183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).