2,2,3,3-tetrafluorothiolane 1,1-dioxide

C4H4F4O2S — CID 87128829

IUPAC2,2,3,3-tetrafluorothiolane 1,1-dioxide
SMILESO=S1(=O)CCC(F)(F)C1(F)F
InChIInChI=1S/C4H4F4O2S/c5-3(6)1-2-11(9,10)4(3,7)8/h1-2H2
InChIKeySQDBDVBIWSSMDW-UHFFFAOYSA-N
MW192.13 g/mol
LogP1.03
Rot. Bonds

About 2,2,3,3-tetrafluorothiolane 1,1-dioxide

2,2,3,3-tetrafluorothiolane 1,1-dioxide (PubChem CID 87128829) has the molecular formula C4H4F4O2S and a molecular weight of 192.13 g/mol. Its IUPAC name is 2,2,3,3-tetrafluorothiolane 1,1-dioxide.

Molecular Properties

Compound Name2,2,3,3-tetrafluorothiolane 1,1-dioxide
PubChem CID87128829
Molecular FormulaC4H4F4O2S
Molecular Weight192.13 g/mol
Exact Mass191.99
IUPAC Name2,2,3,3-tetrafluorothiolane 1,1-dioxide
SMILESO=S1(=O)CCC(F)(F)C1(F)F
InChIInChI=1S/C4H4F4O2S/c5-3(6)1-2-11(9,10)4(3,7)8/h1-2H2
InChIKeySQDBDVBIWSSMDW-UHFFFAOYSA-N
XLogP1.03
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.13
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-tetrafluorothiolane 1,1-dioxide?
The IUPAC name of 2,2,3,3-tetrafluorothiolane 1,1-dioxide (CID 87128829) is 2,2,3,3-tetrafluorothiolane 1,1-dioxide.
What is the SMILES notation for 2,2,3,3-tetrafluorothiolane 1,1-dioxide?
The canonical SMILES for 2,2,3,3-tetrafluorothiolane 1,1-dioxide is O=S1(=O)CCC(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3-tetrafluorothiolane 1,1-dioxide?
The InChIKey is SQDBDVBIWSSMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F4O2S/c5-3(6)1-2-11(9,10)4(3,7)8/h1-2H2.
What are the key properties of 2,2,3,3-tetrafluorothiolane 1,1-dioxide?
2,2,3,3-tetrafluorothiolane 1,1-dioxide has a molecular weight of 192.13 g/mol, XLogP of 1.03, 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-tetrafluorothiolane 1,1-dioxide is sourced from PubChem (CID 87128829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).