5-butyl-2,2-difluorothiolane 1,1-dioxide

C8H14F2O2S — CID 140999346

IUPAC5-butyl-2,2-difluorothiolane 1,1-dioxide
SMILESCCCCC1CCC(F)(F)S1(=O)=O
InChIInChI=1S/C8H14F2O2S/c1-2-3-4-7-5-6-8(9,10)13(7,11)12/h7H,2-6H2,1H3
InChIKeyBPDOMLVERKAJCV-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.35
Rot. Bonds3

About 5-butyl-2,2-difluorothiolane 1,1-dioxide

5-butyl-2,2-difluorothiolane 1,1-dioxide (PubChem CID 140999346) has the molecular formula C8H14F2O2S and a molecular weight of 212.26 g/mol. Its IUPAC name is 5-butyl-2,2-difluorothiolane 1,1-dioxide.

Molecular Properties

Compound Name5-butyl-2,2-difluorothiolane 1,1-dioxide
PubChem CID140999346
Molecular FormulaC8H14F2O2S
Molecular Weight212.26 g/mol
Exact Mass212.07
IUPAC Name5-butyl-2,2-difluorothiolane 1,1-dioxide
SMILESCCCCC1CCC(F)(F)S1(=O)=O
InChIInChI=1S/C8H14F2O2S/c1-2-3-4-7-5-6-8(9,10)13(7,11)12/h7H,2-6H2,1H3
InChIKeyBPDOMLVERKAJCV-UHFFFAOYSA-N
XLogP2.35
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 12598644
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CID 123856276
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-8-propylsulfonyloctane
CID 18415623
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctane-1-sulfonate;thiolan-1-ium
CID 22235138
1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluoro-8-methylsulfonyloctane
CID 23377173
1,1,1-Trifluoro-2-(1,1,1-trifluoroheptan-2-ylsulfonyl)heptane
CID 54364787
1-(Trifluoromethanesulfonyl)heptane
CID 54563252
1-(Trifluoromethylsulfonyl)dodecane
CID 57134248
1-(4-Fluorobutylsulfonyl)nonane
CID 57210591
1,1,1,2,2-Pentafluoro-5-(3,3,3-trifluoropropylsulfonyl)hexane
CID 57425674
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CID 59228907

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2,2-difluorothiolane 1,1-dioxide?
The IUPAC name of 5-butyl-2,2-difluorothiolane 1,1-dioxide (CID 140999346) is 5-butyl-2,2-difluorothiolane 1,1-dioxide.
What is the SMILES notation for 5-butyl-2,2-difluorothiolane 1,1-dioxide?
The canonical SMILES for 5-butyl-2,2-difluorothiolane 1,1-dioxide is CCCCC1CCC(F)(F)S1(=O)=O.
What is the InChIKey of 5-butyl-2,2-difluorothiolane 1,1-dioxide?
The InChIKey is BPDOMLVERKAJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O2S/c1-2-3-4-7-5-6-8(9,10)13(7,11)12/h7H,2-6H2,1H3.
What are the key properties of 5-butyl-2,2-difluorothiolane 1,1-dioxide?
5-butyl-2,2-difluorothiolane 1,1-dioxide has a molecular weight of 212.26 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2,2-difluorothiolane 1,1-dioxide is sourced from PubChem (CID 140999346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).