bis(1-fluoroethyl) sulfite

C4H8F2O3S — CID 87155384

IUPACbis(1-fluoroethyl) sulfite
SMILESCC(F)OS(=O)OC(C)F
InChIInChI=1S/C4H8F2O3S/c1-3(5)8-10(7)9-4(2)6/h3-4H,1-2H3
InChIKeyDZLNYOFEPYKLAJ-UHFFFAOYSA-N
MW174.17 g/mol
LogP1.23
Rot. Bonds4

About bis(1-fluoroethyl) sulfite

bis(1-fluoroethyl) sulfite (PubChem CID 87155384) has the molecular formula C4H8F2O3S and a molecular weight of 174.17 g/mol. Its IUPAC name is bis(1-fluoroethyl) sulfite.

Molecular Properties

Compound Namebis(1-fluoroethyl) sulfite
PubChem CID87155384
Molecular FormulaC4H8F2O3S
Molecular Weight174.17 g/mol
Exact Mass174.02
IUPAC Namebis(1-fluoroethyl) sulfite
SMILESCC(F)OS(=O)OC(C)F
InChIInChI=1S/C4H8F2O3S/c1-3(5)8-10(7)9-4(2)6/h3-4H,1-2H3
InChIKeyDZLNYOFEPYKLAJ-UHFFFAOYSA-N
XLogP1.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.17
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis(1-fluoroethyl) sulfite?
The IUPAC name of bis(1-fluoroethyl) sulfite (CID 87155384) is bis(1-fluoroethyl) sulfite.
What is the SMILES notation for bis(1-fluoroethyl) sulfite?
The canonical SMILES for bis(1-fluoroethyl) sulfite is CC(F)OS(=O)OC(C)F.
What is the InChIKey of bis(1-fluoroethyl) sulfite?
The InChIKey is DZLNYOFEPYKLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2O3S/c1-3(5)8-10(7)9-4(2)6/h3-4H,1-2H3.
What are the key properties of bis(1-fluoroethyl) sulfite?
bis(1-fluoroethyl) sulfite has a molecular weight of 174.17 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-fluoroethyl) sulfite is sourced from PubChem (CID 87155384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).