1,1-difluoro-1-(sulfinosulfamoyl)ethane

C2H5F2NO4S2 — CID 89328833

IUPAC1,1-difluoro-1-(sulfinosulfamoyl)ethane
SMILESCC(F)(F)S(=O)(=O)NS(=O)O
InChIInChI=1S/C2H5F2NO4S2/c1-2(3,4)11(8,9)5-10(6)7/h5H,1H3,(H,6,7)
InChIKeyPCJQFAUXYABDOD-UHFFFAOYSA-N
MW209.20 g/mol
LogP-0.34
Rot. Bonds3

About 1,1-difluoro-1-(sulfinosulfamoyl)ethane

1,1-difluoro-1-(sulfinosulfamoyl)ethane (PubChem CID 89328833) has the molecular formula C2H5F2NO4S2 and a molecular weight of 209.20 g/mol. Its IUPAC name is 1,1-difluoro-1-(sulfinosulfamoyl)ethane.

Molecular Properties

Compound Name1,1-difluoro-1-(sulfinosulfamoyl)ethane
PubChem CID89328833
Molecular FormulaC2H5F2NO4S2
Molecular Weight209.20 g/mol
Exact Mass208.96
IUPAC Name1,1-difluoro-1-(sulfinosulfamoyl)ethane
SMILESCC(F)(F)S(=O)(=O)NS(=O)O
InChIInChI=1S/C2H5F2NO4S2/c1-2(3,4)11(8,9)5-10(6)7/h5H,1H3,(H,6,7)
InChIKeyPCJQFAUXYABDOD-UHFFFAOYSA-N
XLogP-0.34
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1,1-difluoroethylsulfonyl)-1,1-difluoroethanesulfonamide
CID 58312165
sulfinosulfamoylmethane
CID 22285783
CID 174002978
CID 174002978
1,1,2,2,3,3-hexafluoro-3-(methylsulfonylsulfamoyl)propane-1-sulfinic acid
CID 123339020
1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxy-2-methylpropyl)butane-1-sulfonamide
CID 175332736
N-methylmethanamine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 171932401
1,1,1,3,3,3-hexafluoro-2-methylpropane-2-sulfinic acid
CID 166882534
indium(3+);bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)
CID 131725280
1,1,2,2,3,3,4,4-octafluoro-N-(1,1,2,2,3,3,4,4-octafluoropentylsulfonyl)pentane-1-sulfonamide
CID 167233099
trifluoromethyl 1,1-difluoroethanesulfonate
CID 174493572
2-fluoropropan-2-yl hydrogen sulfite
CID 87625431
trifluoro(methylsulfonyl)methane
CID 11215049

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-1-(sulfinosulfamoyl)ethane?
The IUPAC name of 1,1-difluoro-1-(sulfinosulfamoyl)ethane (CID 89328833) is 1,1-difluoro-1-(sulfinosulfamoyl)ethane.
What is the SMILES notation for 1,1-difluoro-1-(sulfinosulfamoyl)ethane?
The canonical SMILES for 1,1-difluoro-1-(sulfinosulfamoyl)ethane is CC(F)(F)S(=O)(=O)NS(=O)O.
What is the InChIKey of 1,1-difluoro-1-(sulfinosulfamoyl)ethane?
The InChIKey is PCJQFAUXYABDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5F2NO4S2/c1-2(3,4)11(8,9)5-10(6)7/h5H,1H3,(H,6,7).
What are the key properties of 1,1-difluoro-1-(sulfinosulfamoyl)ethane?
1,1-difluoro-1-(sulfinosulfamoyl)ethane has a molecular weight of 209.20 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-1-(sulfinosulfamoyl)ethane is sourced from PubChem (CID 89328833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).