bis(1-fluoro-2-methylpentan-2-yl) sulfite

C12H24F2O3S — CID 87625769

IUPACbis(1-fluoro-2-methylpentan-2-yl) sulfite
SMILESCCCC(C)(CF)OS(=O)OC(C)(CF)CCC
InChIInChI=1S/C12H24F2O3S/c1-5-7-11(3,9-13)16-18(15)17-12(4,10-14)8-6-2/h5-10H2,1-4H3
InChIKeyGKBNRJNVJQEBIC-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.65
Rot. Bonds10

About bis(1-fluoro-2-methylpentan-2-yl) sulfite

bis(1-fluoro-2-methylpentan-2-yl) sulfite (PubChem CID 87625769) has the molecular formula C12H24F2O3S and a molecular weight of 286.38 g/mol. Its IUPAC name is bis(1-fluoro-2-methylpentan-2-yl) sulfite.

Molecular Properties

Compound Namebis(1-fluoro-2-methylpentan-2-yl) sulfite
PubChem CID87625769
Molecular FormulaC12H24F2O3S
Molecular Weight286.38 g/mol
Exact Mass286.14
IUPAC Namebis(1-fluoro-2-methylpentan-2-yl) sulfite
SMILESCCCC(C)(CF)OS(=O)OC(C)(CF)CCC
InChIInChI=1S/C12H24F2O3S/c1-5-7-11(3,9-13)16-18(15)17-12(4,10-14)8-6-2/h5-10H2,1-4H3
InChIKeyGKBNRJNVJQEBIC-UHFFFAOYSA-N
XLogP3.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis(1-fluoro-2-methylpentan-2-yl) sulfite?
The IUPAC name of bis(1-fluoro-2-methylpentan-2-yl) sulfite (CID 87625769) is bis(1-fluoro-2-methylpentan-2-yl) sulfite.
What is the SMILES notation for bis(1-fluoro-2-methylpentan-2-yl) sulfite?
The canonical SMILES for bis(1-fluoro-2-methylpentan-2-yl) sulfite is CCCC(C)(CF)OS(=O)OC(C)(CF)CCC.
What is the InChIKey of bis(1-fluoro-2-methylpentan-2-yl) sulfite?
The InChIKey is GKBNRJNVJQEBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F2O3S/c1-5-7-11(3,9-13)16-18(15)17-12(4,10-14)8-6-2/h5-10H2,1-4H3.
What are the key properties of bis(1-fluoro-2-methylpentan-2-yl) sulfite?
bis(1-fluoro-2-methylpentan-2-yl) sulfite has a molecular weight of 286.38 g/mol, XLogP of 3.65, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-fluoro-2-methylpentan-2-yl) sulfite is sourced from PubChem (CID 87625769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).