2,2,3,3-tetrabutyl-4-fluorothiolane 1,1-dioxide

C20H39FO2S — CID 54541384

IUPAC2,2,3,3-tetrabutyl-4-fluorothiolane 1,1-dioxide
SMILESCCCCC1(CCCC)C(F)CS(=O)(=O)C1(CCCC)CCCC
InChIInChI=1S/C20H39FO2S/c1-5-9-13-19(14-10-6-2)18(21)17-24(22,23)20(19,15-11-7-3)16-12-8-4/h18H,5-17H2,1-4H3
InChIKeyZDKXVLGIIXCLCE-UHFFFAOYSA-N
MW362.60 g/mol
LogP6.24
Rot. Bonds12

About 2,2,3,3-tetrabutyl-4-fluorothiolane 1,1-dioxide

2,2,3,3-tetrabutyl-4-fluorothiolane 1,1-dioxide (PubChem CID 54541384) has the molecular formula C20H39FO2S and a molecular weight of 362.60 g/mol. Its IUPAC name is 2,2,3,3-tetrabutyl-4-fluorothiolane 1,1-dioxide.

Molecular Properties

Compound Name2,2,3,3-tetrabutyl-4-fluorothiolane 1,1-dioxide
PubChem CID54541384
Molecular FormulaC20H39FO2S
Molecular Weight362.60 g/mol
Exact Mass362.27
IUPAC Name2,2,3,3-tetrabutyl-4-fluorothiolane 1,1-dioxide
SMILESCCCCC1(CCCC)C(F)CS(=O)(=O)C1(CCCC)CCCC
InChIInChI=1S/C20H39FO2S/c1-5-9-13-19(14-10-6-2)18(21)17-24(22,23)20(19,15-11-7-3)16-12-8-4/h18H,5-17H2,1-4H3
InChIKeyZDKXVLGIIXCLCE-UHFFFAOYSA-N
XLogP6.24
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.60
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2,3,4-trifluoro-3-(fluoromethyl)thiolane 1,1-dioxide
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CID 91325328
1-butyl-1-ethenylcyclohexane
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2,2-dibutyl-5-ethyl-1,3-dioxane
CID 129267797
(4S)-1-butyl-1-ethyl-4-fluoro-2-methylcyclopentane
CID 170622501
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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrabutyl-4-fluorothiolane 1,1-dioxide?
The IUPAC name of 2,2,3,3-tetrabutyl-4-fluorothiolane 1,1-dioxide (CID 54541384) is 2,2,3,3-tetrabutyl-4-fluorothiolane 1,1-dioxide.
What is the SMILES notation for 2,2,3,3-tetrabutyl-4-fluorothiolane 1,1-dioxide?
The canonical SMILES for 2,2,3,3-tetrabutyl-4-fluorothiolane 1,1-dioxide is CCCCC1(CCCC)C(F)CS(=O)(=O)C1(CCCC)CCCC.
What is the InChIKey of 2,2,3,3-tetrabutyl-4-fluorothiolane 1,1-dioxide?
The InChIKey is ZDKXVLGIIXCLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39FO2S/c1-5-9-13-19(14-10-6-2)18(21)17-24(22,23)20(19,15-11-7-3)16-12-8-4/h18H,5-17H2,1-4H3.
What are the key properties of 2,2,3,3-tetrabutyl-4-fluorothiolane 1,1-dioxide?
2,2,3,3-tetrabutyl-4-fluorothiolane 1,1-dioxide has a molecular weight of 362.60 g/mol, XLogP of 6.24, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrabutyl-4-fluorothiolane 1,1-dioxide is sourced from PubChem (CID 54541384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).