1,1,1,2,2,3,3,4,4-nonafluoro-4-(sulfinosulfamoyl)butane

C4H2F9NO4S2 — CID 89194170

IUPAC1,1,1,2,2,3,3,4,4-nonafluoro-4-(sulfinosulfamoyl)butane
SMILESO=S(O)NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H2F9NO4S2/c5-1(6,3(9,10)11)2(7,8)4(12,13)20(17,18)14-19(15)16/h14H,(H,15,16)
InChIKeyBGGIQURVVABBEW-UHFFFAOYSA-N
MW363.18 g/mol
LogP1.47
Rot. Bonds5

About 1,1,1,2,2,3,3,4,4-nonafluoro-4-(sulfinosulfamoyl)butane

1,1,1,2,2,3,3,4,4-nonafluoro-4-(sulfinosulfamoyl)butane (PubChem CID 89194170) has the molecular formula C4H2F9NO4S2 and a molecular weight of 363.18 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4-nonafluoro-4-(sulfinosulfamoyl)butane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4-nonafluoro-4-(sulfinosulfamoyl)butane
PubChem CID89194170
Molecular FormulaC4H2F9NO4S2
Molecular Weight363.18 g/mol
Exact Mass362.93
IUPAC Name1,1,1,2,2,3,3,4,4-nonafluoro-4-(sulfinosulfamoyl)butane
SMILESO=S(O)NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H2F9NO4S2/c5-1(6,3(9,10)11)2(7,8)4(12,13)20(17,18)14-19(15)16/h14H,(H,15,16)
InChIKeyBGGIQURVVABBEW-UHFFFAOYSA-N
XLogP1.47
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.18
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,1,1,2,2,3,3,4,4-nonafluoro-4-(sulfinosulfamoyl)butane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4-nonafluoro-4-(sulfinosulfamoyl)butane?
The IUPAC name of 1,1,1,2,2,3,3,4,4-nonafluoro-4-(sulfinosulfamoyl)butane (CID 89194170) is 1,1,1,2,2,3,3,4,4-nonafluoro-4-(sulfinosulfamoyl)butane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4-nonafluoro-4-(sulfinosulfamoyl)butane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4-nonafluoro-4-(sulfinosulfamoyl)butane is O=S(O)NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4-nonafluoro-4-(sulfinosulfamoyl)butane?
The InChIKey is BGGIQURVVABBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F9NO4S2/c5-1(6,3(9,10)11)2(7,8)4(12,13)20(17,18)14-19(15)16/h14H,(H,15,16).
What are the key properties of 1,1,1,2,2,3,3,4,4-nonafluoro-4-(sulfinosulfamoyl)butane?
1,1,1,2,2,3,3,4,4-nonafluoro-4-(sulfinosulfamoyl)butane has a molecular weight of 363.18 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4-nonafluoro-4-(sulfinosulfamoyl)butane is sourced from PubChem (CID 89194170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).