2,2-difluorothiolane 1,1-dioxide

C4H6F2O2S — CID 66729887

IUPAC2,2-difluorothiolane 1,1-dioxide
SMILESO=S1(=O)CCCC1(F)F
InChIInChI=1S/C4H6F2O2S/c5-4(6)2-1-3-9(4,7)8/h1-3H2
InChIKeyNUCTUOMXYACBHH-UHFFFAOYSA-N
MW156.15 g/mol
LogP0.79
Rot. Bonds

About 2,2-difluorothiolane 1,1-dioxide

2,2-difluorothiolane 1,1-dioxide (PubChem CID 66729887) has the molecular formula C4H6F2O2S and a molecular weight of 156.15 g/mol. Its IUPAC name is 2,2-difluorothiolane 1,1-dioxide.

Molecular Properties

Compound Name2,2-difluorothiolane 1,1-dioxide
PubChem CID66729887
Molecular FormulaC4H6F2O2S
Molecular Weight156.15 g/mol
Exact Mass156.01
IUPAC Name2,2-difluorothiolane 1,1-dioxide
SMILESO=S1(=O)CCCC1(F)F
InChIInChI=1S/C4H6F2O2S/c5-4(6)2-1-3-9(4,7)8/h1-3H2
InChIKeyNUCTUOMXYACBHH-UHFFFAOYSA-N
XLogP0.79
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 ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluorothiolane 1,1-dioxide?
The IUPAC name of 2,2-difluorothiolane 1,1-dioxide (CID 66729887) is 2,2-difluorothiolane 1,1-dioxide.
What is the SMILES notation for 2,2-difluorothiolane 1,1-dioxide?
The canonical SMILES for 2,2-difluorothiolane 1,1-dioxide is O=S1(=O)CCCC1(F)F.
What is the InChIKey of 2,2-difluorothiolane 1,1-dioxide?
The InChIKey is NUCTUOMXYACBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2O2S/c5-4(6)2-1-3-9(4,7)8/h1-3H2.
What are the key properties of 2,2-difluorothiolane 1,1-dioxide?
2,2-difluorothiolane 1,1-dioxide has a molecular weight of 156.15 g/mol, XLogP of 0.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluorothiolane 1,1-dioxide is sourced from PubChem (CID 66729887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).