2,4,4-trifluorothiolane 1,1-dioxide

C4H5F3O2S — CID 66730200

IUPAC2,4,4-trifluorothiolane 1,1-dioxide
SMILESO=S1(=O)CC(F)(F)CC1F
InChIInChI=1S/C4H5F3O2S/c5-3-1-4(6,7)2-10(3,8)9/h3H,1-2H2
InChIKeyNCZLEVAYKHWTPA-UHFFFAOYSA-N
MW174.14 g/mol
LogP0.74
Rot. Bonds

About 2,4,4-trifluorothiolane 1,1-dioxide

2,4,4-trifluorothiolane 1,1-dioxide (PubChem CID 66730200) has the molecular formula C4H5F3O2S and a molecular weight of 174.14 g/mol. Its IUPAC name is 2,4,4-trifluorothiolane 1,1-dioxide.

Molecular Properties

Compound Name2,4,4-trifluorothiolane 1,1-dioxide
PubChem CID66730200
Molecular FormulaC4H5F3O2S
Molecular Weight174.14 g/mol
Exact Mass174.00
IUPAC Name2,4,4-trifluorothiolane 1,1-dioxide
SMILESO=S1(=O)CC(F)(F)CC1F
InChIInChI=1S/C4H5F3O2S/c5-3-1-4(6,7)2-10(3,8)9/h3H,1-2H2
InChIKeyNCZLEVAYKHWTPA-UHFFFAOYSA-N
XLogP0.74
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.14
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,4-trifluorothiolane 1,1-dioxide?
The IUPAC name of 2,4,4-trifluorothiolane 1,1-dioxide (CID 66730200) is 2,4,4-trifluorothiolane 1,1-dioxide.
What is the SMILES notation for 2,4,4-trifluorothiolane 1,1-dioxide?
The canonical SMILES for 2,4,4-trifluorothiolane 1,1-dioxide is O=S1(=O)CC(F)(F)CC1F.
What is the InChIKey of 2,4,4-trifluorothiolane 1,1-dioxide?
The InChIKey is NCZLEVAYKHWTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3O2S/c5-3-1-4(6,7)2-10(3,8)9/h3H,1-2H2.
What are the key properties of 2,4,4-trifluorothiolane 1,1-dioxide?
2,4,4-trifluorothiolane 1,1-dioxide has a molecular weight of 174.14 g/mol, XLogP of 0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trifluorothiolane 1,1-dioxide is sourced from PubChem (CID 66730200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).