1,1,2,2,3,3-hexafluoro-1-(sulfinatosulfamoyl)propane

C3H2F6NO4S2- — CID 86202898

IUPAC1,1,2,2,3,3-hexafluoro-1-(sulfinatosulfamoyl)propane
SMILESO=S([O-])NS(=O)(=O)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C3H3F6NO4S2/c4-1(5)2(6,7)3(8,9)16(13,14)10-15(11)12/h1,10H,(H,11,12)/p-1
InChIKeyHIQJLMSOTICRMD-UHFFFAOYSA-M
MW294.17 g/mol
LogP0.19
Rot. Bonds5

About 1,1,2,2,3,3-hexafluoro-1-(sulfinatosulfamoyl)propane

1,1,2,2,3,3-hexafluoro-1-(sulfinatosulfamoyl)propane (PubChem CID 86202898) has the molecular formula C3H2F6NO4S2- and a molecular weight of 294.17 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluoro-1-(sulfinatosulfamoyl)propane.

Molecular Properties

Compound Name1,1,2,2,3,3-hexafluoro-1-(sulfinatosulfamoyl)propane
PubChem CID86202898
Molecular FormulaC3H2F6NO4S2-
Molecular Weight294.17 g/mol
Exact Mass293.93
IUPAC Name1,1,2,2,3,3-hexafluoro-1-(sulfinatosulfamoyl)propane
SMILESO=S([O-])NS(=O)(=O)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C3H3F6NO4S2/c4-1(5)2(6,7)3(8,9)16(13,14)10-15(11)12/h1,10H,(H,11,12)/p-1
InChIKeyHIQJLMSOTICRMD-UHFFFAOYSA-M
XLogP0.19
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.17
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexafluoro-1-(sulfinatosulfamoyl)propane?
The IUPAC name of 1,1,2,2,3,3-hexafluoro-1-(sulfinatosulfamoyl)propane (CID 86202898) is 1,1,2,2,3,3-hexafluoro-1-(sulfinatosulfamoyl)propane.
What is the SMILES notation for 1,1,2,2,3,3-hexafluoro-1-(sulfinatosulfamoyl)propane?
The canonical SMILES for 1,1,2,2,3,3-hexafluoro-1-(sulfinatosulfamoyl)propane is O=S([O-])NS(=O)(=O)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2,3,3-hexafluoro-1-(sulfinatosulfamoyl)propane?
The InChIKey is HIQJLMSOTICRMD-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H3F6NO4S2/c4-1(5)2(6,7)3(8,9)16(13,14)10-15(11)12/h1,10H,(H,11,12)/p-1.
What are the key properties of 1,1,2,2,3,3-hexafluoro-1-(sulfinatosulfamoyl)propane?
1,1,2,2,3,3-hexafluoro-1-(sulfinatosulfamoyl)propane has a molecular weight of 294.17 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexafluoro-1-(sulfinatosulfamoyl)propane is sourced from PubChem (CID 86202898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).