2,2,4-trifluoro-3-methylthiolane 1,1-dioxide

C5H7F3O2S — CID 66729999

IUPAC2,2,4-trifluoro-3-methylthiolane 1,1-dioxide
SMILESCC1C(F)CS(=O)(=O)C1(F)F
InChIInChI=1S/C5H7F3O2S/c1-3-4(6)2-11(9,10)5(3,7)8/h3-4H,2H2,1H3
InChIKeyIYEVGUFKURZFKJ-UHFFFAOYSA-N
MW188.17 g/mol
LogP0.98
Rot. Bonds

About 2,2,4-trifluoro-3-methylthiolane 1,1-dioxide

2,2,4-trifluoro-3-methylthiolane 1,1-dioxide (PubChem CID 66729999) has the molecular formula C5H7F3O2S and a molecular weight of 188.17 g/mol. Its IUPAC name is 2,2,4-trifluoro-3-methylthiolane 1,1-dioxide.

Molecular Properties

Compound Name2,2,4-trifluoro-3-methylthiolane 1,1-dioxide
PubChem CID66729999
Molecular FormulaC5H7F3O2S
Molecular Weight188.17 g/mol
Exact Mass188.01
IUPAC Name2,2,4-trifluoro-3-methylthiolane 1,1-dioxide
SMILESCC1C(F)CS(=O)(=O)C1(F)F
InChIInChI=1S/C5H7F3O2S/c1-3-4(6)2-11(9,10)5(3,7)8/h3-4H,2H2,1H3
InChIKeyIYEVGUFKURZFKJ-UHFFFAOYSA-N
XLogP0.98
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.17
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trifluoro-3-methylthiolane 1,1-dioxide?
The IUPAC name of 2,2,4-trifluoro-3-methylthiolane 1,1-dioxide (CID 66729999) is 2,2,4-trifluoro-3-methylthiolane 1,1-dioxide.
What is the SMILES notation for 2,2,4-trifluoro-3-methylthiolane 1,1-dioxide?
The canonical SMILES for 2,2,4-trifluoro-3-methylthiolane 1,1-dioxide is CC1C(F)CS(=O)(=O)C1(F)F.
What is the InChIKey of 2,2,4-trifluoro-3-methylthiolane 1,1-dioxide?
The InChIKey is IYEVGUFKURZFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O2S/c1-3-4(6)2-11(9,10)5(3,7)8/h3-4H,2H2,1H3.
What are the key properties of 2,2,4-trifluoro-3-methylthiolane 1,1-dioxide?
2,2,4-trifluoro-3-methylthiolane 1,1-dioxide has a molecular weight of 188.17 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trifluoro-3-methylthiolane 1,1-dioxide is sourced from PubChem (CID 66729999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).