3,3-difluorothiolane 1,1-dioxide

C4H6F2O2S — CID 11240618

IUPAC3,3-difluorothiolane 1,1-dioxide
SMILESO=S1(=O)CCC(F)(F)C1
InChIInChI=1S/C4H6F2O2S/c5-4(6)1-2-9(7,8)3-4/h1-3H2
InChIKeyVRYOEMBHJGNZTI-UHFFFAOYSA-N
MW156.15 g/mol
LogP0.44
Rot. Bonds

About 3,3-difluorothiolane 1,1-dioxide

3,3-difluorothiolane 1,1-dioxide (PubChem CID 11240618) has the molecular formula C4H6F2O2S and a molecular weight of 156.15 g/mol. Its IUPAC name is 3,3-difluorothiolane 1,1-dioxide.

Molecular Properties

Compound Name3,3-difluorothiolane 1,1-dioxide
PubChem CID11240618
Molecular FormulaC4H6F2O2S
Molecular Weight156.15 g/mol
Exact Mass156.01
IUPAC Name3,3-difluorothiolane 1,1-dioxide
SMILESO=S1(=O)CCC(F)(F)C1
InChIInChI=1S/C4H6F2O2S/c5-4(6)1-2-9(7,8)3-4/h1-3H2
InChIKeyVRYOEMBHJGNZTI-UHFFFAOYSA-N
XLogP0.44
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluorothiolane 1,1-dioxide?
The IUPAC name of 3,3-difluorothiolane 1,1-dioxide (CID 11240618) is 3,3-difluorothiolane 1,1-dioxide.
What is the SMILES notation for 3,3-difluorothiolane 1,1-dioxide?
The canonical SMILES for 3,3-difluorothiolane 1,1-dioxide is O=S1(=O)CCC(F)(F)C1.
What is the InChIKey of 3,3-difluorothiolane 1,1-dioxide?
The InChIKey is VRYOEMBHJGNZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2O2S/c5-4(6)1-2-9(7,8)3-4/h1-3H2.
What are the key properties of 3,3-difluorothiolane 1,1-dioxide?
3,3-difluorothiolane 1,1-dioxide has a molecular weight of 156.15 g/mol, XLogP of 0.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluorothiolane 1,1-dioxide is sourced from PubChem (CID 11240618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).