bis(1,1,2,2,2-pentafluoroethyl) sulfite

C4F10O3S — CID 87155446

IUPACbis(1,1,2,2,2-pentafluoroethyl) sulfite
SMILESO=S(OC(F)(F)C(F)(F)F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C4F10O3S/c5-1(6,7)3(11,12)16-18(15)17-4(13,14)2(8,9)10
InChIKeyLWAWUILEWHCYOX-UHFFFAOYSA-N
MW318.09 g/mol
LogP2.91
Rot. Bonds4

About bis(1,1,2,2,2-pentafluoroethyl) sulfite

bis(1,1,2,2,2-pentafluoroethyl) sulfite (PubChem CID 87155446) has the molecular formula C4F10O3S and a molecular weight of 318.09 g/mol. Its IUPAC name is bis(1,1,2,2,2-pentafluoroethyl) sulfite.

Molecular Properties

Compound Namebis(1,1,2,2,2-pentafluoroethyl) sulfite
PubChem CID87155446
Molecular FormulaC4F10O3S
Molecular Weight318.09 g/mol
Exact Mass317.94
IUPAC Namebis(1,1,2,2,2-pentafluoroethyl) sulfite
SMILESO=S(OC(F)(F)C(F)(F)F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C4F10O3S/c5-1(6,7)3(11,12)16-18(15)17-4(13,14)2(8,9)10
InChIKeyLWAWUILEWHCYOX-UHFFFAOYSA-N
XLogP2.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.09
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(1,1,2,2,2-pentafluoroethyl) sulfite?
The IUPAC name of bis(1,1,2,2,2-pentafluoroethyl) sulfite (CID 87155446) is bis(1,1,2,2,2-pentafluoroethyl) sulfite.
What is the SMILES notation for bis(1,1,2,2,2-pentafluoroethyl) sulfite?
The canonical SMILES for bis(1,1,2,2,2-pentafluoroethyl) sulfite is O=S(OC(F)(F)C(F)(F)F)OC(F)(F)C(F)(F)F.
What is the InChIKey of bis(1,1,2,2,2-pentafluoroethyl) sulfite?
The InChIKey is LWAWUILEWHCYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F10O3S/c5-1(6,7)3(11,12)16-18(15)17-4(13,14)2(8,9)10.
What are the key properties of bis(1,1,2,2,2-pentafluoroethyl) sulfite?
bis(1,1,2,2,2-pentafluoroethyl) sulfite has a molecular weight of 318.09 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1,2,2,2-pentafluoroethyl) sulfite is sourced from PubChem (CID 87155446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).