1-(1,1-difluoroethyldisulfanyl)-1,1-difluoroethane

C4H6F4S2 — CID 87128624

IUPAC1-(1,1-difluoroethyldisulfanyl)-1,1-difluoroethane
SMILESCC(F)(F)SSC(C)(F)F
InChIInChI=1S/C4H6F4S2/c1-3(5,6)9-10-4(2,7)8/h1-2H3
InChIKeyAOUNNMNHFJHCEO-UHFFFAOYSA-N
MW194.22 g/mol
LogP3.59
Rot. Bonds3

About 1-(1,1-difluoroethyldisulfanyl)-1,1-difluoroethane

1-(1,1-difluoroethyldisulfanyl)-1,1-difluoroethane (PubChem CID 87128624) has the molecular formula C4H6F4S2 and a molecular weight of 194.22 g/mol. Its IUPAC name is 1-(1,1-difluoroethyldisulfanyl)-1,1-difluoroethane.

Molecular Properties

Compound Name1-(1,1-difluoroethyldisulfanyl)-1,1-difluoroethane
PubChem CID87128624
Molecular FormulaC4H6F4S2
Molecular Weight194.22 g/mol
Exact Mass193.98
IUPAC Name1-(1,1-difluoroethyldisulfanyl)-1,1-difluoroethane
SMILESCC(F)(F)SSC(C)(F)F
InChIInChI=1S/C4H6F4S2/c1-3(5,6)9-10-4(2,7)8/h1-2H3
InChIKeyAOUNNMNHFJHCEO-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroethyldisulfanyl)-1,1-difluoroethane?
The IUPAC name of 1-(1,1-difluoroethyldisulfanyl)-1,1-difluoroethane (CID 87128624) is 1-(1,1-difluoroethyldisulfanyl)-1,1-difluoroethane.
What is the SMILES notation for 1-(1,1-difluoroethyldisulfanyl)-1,1-difluoroethane?
The canonical SMILES for 1-(1,1-difluoroethyldisulfanyl)-1,1-difluoroethane is CC(F)(F)SSC(C)(F)F.
What is the InChIKey of 1-(1,1-difluoroethyldisulfanyl)-1,1-difluoroethane?
The InChIKey is AOUNNMNHFJHCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F4S2/c1-3(5,6)9-10-4(2,7)8/h1-2H3.
What are the key properties of 1-(1,1-difluoroethyldisulfanyl)-1,1-difluoroethane?
1-(1,1-difluoroethyldisulfanyl)-1,1-difluoroethane has a molecular weight of 194.22 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroethyldisulfanyl)-1,1-difluoroethane is sourced from PubChem (CID 87128624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).