N-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethyl]sulfonylsulfamoyl fluoride

C4H2F9NO5S2 — CID 102096919

IUPACN-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethyl]sulfonylsulfamoyl fluoride
SMILESO=S(=O)(F)NS(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)F
InChIInChI=1S/C4H2F9NO5S2/c5-1(6)2(7,8)19-3(9,10)4(11,12)20(15,16)14-21(13,17)18/h1,14H
InChIKeyUTESKDVYQVXJAO-UHFFFAOYSA-N
MW379.18 g/mol
LogP1.18
Rot. Bonds7

About N-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethyl]sulfonylsulfamoyl fluoride

N-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethyl]sulfonylsulfamoyl fluoride (PubChem CID 102096919) has the molecular formula C4H2F9NO5S2 and a molecular weight of 379.18 g/mol. Its IUPAC name is N-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethyl]sulfonylsulfamoyl fluoride.

Molecular Properties

Compound NameN-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethyl]sulfonylsulfamoyl fluoride
PubChem CID102096919
Molecular FormulaC4H2F9NO5S2
Molecular Weight379.18 g/mol
Exact Mass378.92
IUPAC NameN-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethyl]sulfonylsulfamoyl fluoride
SMILESO=S(=O)(F)NS(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)F
InChIInChI=1S/C4H2F9NO5S2/c5-1(6)2(7,8)19-3(9,10)4(11,12)20(15,16)14-21(13,17)18/h1,14H
InChIKeyUTESKDVYQVXJAO-UHFFFAOYSA-N
XLogP1.18
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.18
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethyl]sulfonylsulfamoyl fluoride?
The IUPAC name of N-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethyl]sulfonylsulfamoyl fluoride (CID 102096919) is N-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethyl]sulfonylsulfamoyl fluoride.
What is the SMILES notation for N-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethyl]sulfonylsulfamoyl fluoride?
The canonical SMILES for N-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethyl]sulfonylsulfamoyl fluoride is O=S(=O)(F)NS(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)F.
What is the InChIKey of N-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethyl]sulfonylsulfamoyl fluoride?
The InChIKey is UTESKDVYQVXJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F9NO5S2/c5-1(6)2(7,8)19-3(9,10)4(11,12)20(15,16)14-21(13,17)18/h1,14H.
What are the key properties of N-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethyl]sulfonylsulfamoyl fluoride?
N-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethyl]sulfonylsulfamoyl fluoride has a molecular weight of 379.18 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethyl]sulfonylsulfamoyl fluoride is sourced from PubChem (CID 102096919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).