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

C6H11FO2S — CID 66730036

IUPAC2-fluoro-2,4-dimethylthiolane 1,1-dioxide
SMILESCC1CC(C)(F)S(=O)(=O)C1
InChIInChI=1S/C6H11FO2S/c1-5-3-6(2,7)10(8,9)4-5/h5H,3-4H2,1-2H3
InChIKeyIDRQONVIZOPZAF-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.13
Rot. Bonds

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

2-fluoro-2,4-dimethylthiolane 1,1-dioxide (PubChem CID 66730036) has the molecular formula C6H11FO2S and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-fluoro-2,4-dimethylthiolane 1,1-dioxide.

Molecular Properties

Compound Name2-fluoro-2,4-dimethylthiolane 1,1-dioxide
PubChem CID66730036
Molecular FormulaC6H11FO2S
Molecular Weight166.22 g/mol
Exact Mass166.05
IUPAC Name2-fluoro-2,4-dimethylthiolane 1,1-dioxide
SMILESCC1CC(C)(F)S(=O)(=O)C1
InChIInChI=1S/C6H11FO2S/c1-5-3-6(2,7)10(8,9)4-5/h5H,3-4H2,1-2H3
InChIKeyIDRQONVIZOPZAF-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2,4-dimethylthiolane 1,1-dioxide?
The IUPAC name of 2-fluoro-2,4-dimethylthiolane 1,1-dioxide (CID 66730036) is 2-fluoro-2,4-dimethylthiolane 1,1-dioxide.
What is the SMILES notation for 2-fluoro-2,4-dimethylthiolane 1,1-dioxide?
The canonical SMILES for 2-fluoro-2,4-dimethylthiolane 1,1-dioxide is CC1CC(C)(F)S(=O)(=O)C1.
What is the InChIKey of 2-fluoro-2,4-dimethylthiolane 1,1-dioxide?
The InChIKey is IDRQONVIZOPZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO2S/c1-5-3-6(2,7)10(8,9)4-5/h5H,3-4H2,1-2H3.
What are the key properties of 2-fluoro-2,4-dimethylthiolane 1,1-dioxide?
2-fluoro-2,4-dimethylthiolane 1,1-dioxide has a molecular weight of 166.22 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2,4-dimethylthiolane 1,1-dioxide is sourced from PubChem (CID 66730036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).