3-fluoro-2,4-dimethylthiolane 1,1-dioxide

C6H11FO2S — CID 66729889

IUPAC3-fluoro-2,4-dimethylthiolane 1,1-dioxide
SMILESCC1CS(=O)(=O)C(C)C1F
InChIInChI=1S/C6H11FO2S/c1-4-3-10(8,9)5(2)6(4)7/h4-6H,3H2,1-2H3
InChIKeyRZNUMUSMXCBSJS-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.78
Rot. Bonds

About 3-fluoro-2,4-dimethylthiolane 1,1-dioxide

3-fluoro-2,4-dimethylthiolane 1,1-dioxide (PubChem CID 66729889) has the molecular formula C6H11FO2S and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-fluoro-2,4-dimethylthiolane 1,1-dioxide.

Molecular Properties

Compound Name3-fluoro-2,4-dimethylthiolane 1,1-dioxide
PubChem CID66729889
Molecular FormulaC6H11FO2S
Molecular Weight166.22 g/mol
Exact Mass166.05
IUPAC Name3-fluoro-2,4-dimethylthiolane 1,1-dioxide
SMILESCC1CS(=O)(=O)C(C)C1F
InChIInChI=1S/C6H11FO2S/c1-4-3-10(8,9)5(2)6(4)7/h4-6H,3H2,1-2H3
InChIKeyRZNUMUSMXCBSJS-UHFFFAOYSA-N
XLogP0.78
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,4-dimethylthiolane 1,1-dioxide?
The IUPAC name of 3-fluoro-2,4-dimethylthiolane 1,1-dioxide (CID 66729889) is 3-fluoro-2,4-dimethylthiolane 1,1-dioxide.
What is the SMILES notation for 3-fluoro-2,4-dimethylthiolane 1,1-dioxide?
The canonical SMILES for 3-fluoro-2,4-dimethylthiolane 1,1-dioxide is CC1CS(=O)(=O)C(C)C1F.
What is the InChIKey of 3-fluoro-2,4-dimethylthiolane 1,1-dioxide?
The InChIKey is RZNUMUSMXCBSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO2S/c1-4-3-10(8,9)5(2)6(4)7/h4-6H,3H2,1-2H3.
What are the key properties of 3-fluoro-2,4-dimethylthiolane 1,1-dioxide?
3-fluoro-2,4-dimethylthiolane 1,1-dioxide has a molecular weight of 166.22 g/mol, XLogP of 0.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,4-dimethylthiolane 1,1-dioxide is sourced from PubChem (CID 66729889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).