3-(difluoromethyl)-2,2,5,5-tetrafluorothiolane 1,1-dioxide

C5H4F6O2S — CID 87128837

IUPAC3-(difluoromethyl)-2,2,5,5-tetrafluorothiolane 1,1-dioxide
SMILESO=S1(=O)C(F)(F)CC(C(F)F)C1(F)F
InChIInChI=1S/C5H4F6O2S/c6-3(7)2-1-4(8,9)14(12,13)5(2,10)11/h2-3H,1H2
InChIKeyKASVCJCYNBGBHO-UHFFFAOYSA-N
MW242.14 g/mol
LogP1.87
Rot. Bonds1

About 3-(difluoromethyl)-2,2,5,5-tetrafluorothiolane 1,1-dioxide

3-(difluoromethyl)-2,2,5,5-tetrafluorothiolane 1,1-dioxide (PubChem CID 87128837) has the molecular formula C5H4F6O2S and a molecular weight of 242.14 g/mol. Its IUPAC name is 3-(difluoromethyl)-2,2,5,5-tetrafluorothiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(difluoromethyl)-2,2,5,5-tetrafluorothiolane 1,1-dioxide
PubChem CID87128837
Molecular FormulaC5H4F6O2S
Molecular Weight242.14 g/mol
Exact Mass241.98
IUPAC Name3-(difluoromethyl)-2,2,5,5-tetrafluorothiolane 1,1-dioxide
SMILESO=S1(=O)C(F)(F)CC(C(F)F)C1(F)F
InChIInChI=1S/C5H4F6O2S/c6-3(7)2-1-4(8,9)14(12,13)5(2,10)11/h2-3H,1H2
InChIKeyKASVCJCYNBGBHO-UHFFFAOYSA-N
XLogP1.87
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.14
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(difluoromethyl)-2,2,5,5-tetrafluorothiolane 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2,2,5,5-tetrafluorothiolane 1,1-dioxide?
The IUPAC name of 3-(difluoromethyl)-2,2,5,5-tetrafluorothiolane 1,1-dioxide (CID 87128837) is 3-(difluoromethyl)-2,2,5,5-tetrafluorothiolane 1,1-dioxide.
What is the SMILES notation for 3-(difluoromethyl)-2,2,5,5-tetrafluorothiolane 1,1-dioxide?
The canonical SMILES for 3-(difluoromethyl)-2,2,5,5-tetrafluorothiolane 1,1-dioxide is O=S1(=O)C(F)(F)CC(C(F)F)C1(F)F.
What is the InChIKey of 3-(difluoromethyl)-2,2,5,5-tetrafluorothiolane 1,1-dioxide?
The InChIKey is KASVCJCYNBGBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F6O2S/c6-3(7)2-1-4(8,9)14(12,13)5(2,10)11/h2-3H,1H2.
What are the key properties of 3-(difluoromethyl)-2,2,5,5-tetrafluorothiolane 1,1-dioxide?
3-(difluoromethyl)-2,2,5,5-tetrafluorothiolane 1,1-dioxide has a molecular weight of 242.14 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-2,2,5,5-tetrafluorothiolane 1,1-dioxide is sourced from PubChem (CID 87128837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).