1,1,2,2,3,3-hexafluoro-3-(methylsulfamoyl)propane-1-sulfonyl fluoride

C4H4F7NO4S2 — CID 58021712

IUPAC1,1,2,2,3,3-hexafluoro-3-(methylsulfamoyl)propane-1-sulfonyl fluoride
SMILESCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)F
InChIInChI=1S/C4H4F7NO4S2/c1-12-18(15,16)4(9,10)2(5,6)3(7,8)17(11,13)14/h12H,1H3
InChIKeyGTJCPVFLAASNGZ-UHFFFAOYSA-N
MW327.20 g/mol
LogP0.66
Rot. Bonds5

About 1,1,2,2,3,3-hexafluoro-3-(methylsulfamoyl)propane-1-sulfonyl fluoride

1,1,2,2,3,3-hexafluoro-3-(methylsulfamoyl)propane-1-sulfonyl fluoride (PubChem CID 58021712) has the molecular formula C4H4F7NO4S2 and a molecular weight of 327.20 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluoro-3-(methylsulfamoyl)propane-1-sulfonyl fluoride.

Molecular Properties

Compound Name1,1,2,2,3,3-hexafluoro-3-(methylsulfamoyl)propane-1-sulfonyl fluoride
PubChem CID58021712
Molecular FormulaC4H4F7NO4S2
Molecular Weight327.20 g/mol
Exact Mass326.95
IUPAC Name1,1,2,2,3,3-hexafluoro-3-(methylsulfamoyl)propane-1-sulfonyl fluoride
SMILESCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)F
InChIInChI=1S/C4H4F7NO4S2/c1-12-18(15,16)4(9,10)2(5,6)3(7,8)17(11,13)14/h12H,1H3
InChIKeyGTJCPVFLAASNGZ-UHFFFAOYSA-N
XLogP0.66
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1,1,2,2,3,3-hexafluoro-3-(methylsulfamoyl)propane-1-sulfonyl fluoride?
The IUPAC name of 1,1,2,2,3,3-hexafluoro-3-(methylsulfamoyl)propane-1-sulfonyl fluoride (CID 58021712) is 1,1,2,2,3,3-hexafluoro-3-(methylsulfamoyl)propane-1-sulfonyl fluoride.
What is the SMILES notation for 1,1,2,2,3,3-hexafluoro-3-(methylsulfamoyl)propane-1-sulfonyl fluoride?
The canonical SMILES for 1,1,2,2,3,3-hexafluoro-3-(methylsulfamoyl)propane-1-sulfonyl fluoride is CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)F.
What is the InChIKey of 1,1,2,2,3,3-hexafluoro-3-(methylsulfamoyl)propane-1-sulfonyl fluoride?
The InChIKey is GTJCPVFLAASNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F7NO4S2/c1-12-18(15,16)4(9,10)2(5,6)3(7,8)17(11,13)14/h12H,1H3.
What are the key properties of 1,1,2,2,3,3-hexafluoro-3-(methylsulfamoyl)propane-1-sulfonyl fluoride?
1,1,2,2,3,3-hexafluoro-3-(methylsulfamoyl)propane-1-sulfonyl fluoride has a molecular weight of 327.20 g/mol, XLogP of 0.66, 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-3-(methylsulfamoyl)propane-1-sulfonyl fluoride is sourced from PubChem (CID 58021712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).