N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride;pyrrolidine

C6H10F6N2O4S2 — CID 118659621

IUPACN-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride;pyrrolidine
SMILESC1CCNC1.O=S(=O)(F)NS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H9N.C2HF6NO4S2/c1-2-4-5-3-1;3-1(4,5)2(6,7)14(10,11)9-15(8,12)13/h5H,1-4H2;9H
InChIKeyNTXLZRXPHOORNJ-UHFFFAOYSA-N
MW352.28 g/mol
LogP0.64
Rot. Bonds3

About N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride;pyrrolidine

N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride;pyrrolidine (PubChem CID 118659621) has the molecular formula C6H10F6N2O4S2 and a molecular weight of 352.28 g/mol. Its IUPAC name is N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride;pyrrolidine.

Molecular Properties

Compound NameN-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride;pyrrolidine
PubChem CID118659621
Molecular FormulaC6H10F6N2O4S2
Molecular Weight352.28 g/mol
Exact Mass352.00
IUPAC NameN-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride;pyrrolidine
SMILESC1CCNC1.O=S(=O)(F)NS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H9N.C2HF6NO4S2/c1-2-4-5-3-1;3-1(4,5)2(6,7)14(10,11)9-15(8,12)13/h5H,1-4H2;9H
InChIKeyNTXLZRXPHOORNJ-UHFFFAOYSA-N
XLogP0.64
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

lithium 1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide
CID 173034743
lithium;hydride;bis(1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide)
CID 173065488
lithium;hydride;N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)sulfamoyl fluoride
CID 173065496
N,N-diethylethanamine;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride
CID 118659646
lithium 1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)propane-1-sulfonamide
CID 173199731
pyrrolidine;2,2,2-trifluoroacetic acid
CID 56840277
N-fluorosulfonylsulfamoyl fluoride;morpholine
CID 118659698
1,1,2,2,3,3,4,4-octafluoro-4-(trifluoromethylsulfonylsulfamoyl)butane-1-sulfonyl fluoride
CID 58852815
pyrrolidine;sulfuryl dichloride
CID 21430333
azepane;2,2,2-trifluoroacetic acid;hydrate
CID 157278760
piperidine;2,2,2-trifluoroacetamide
CID 121482656
1-(trifluoromethylsulfonyl)-1,4,7,10,14,17-hexazacycloicosane
CID 175452379

Frequently Asked Questions

What is the IUPAC name of N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride;pyrrolidine?
The IUPAC name of N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride;pyrrolidine (CID 118659621) is N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride;pyrrolidine.
What is the SMILES notation for N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride;pyrrolidine?
The canonical SMILES for N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride;pyrrolidine is C1CCNC1.O=S(=O)(F)NS(=O)(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride;pyrrolidine?
The InChIKey is NTXLZRXPHOORNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N.C2HF6NO4S2/c1-2-4-5-3-1;3-1(4,5)2(6,7)14(10,11)9-15(8,12)13/h5H,1-4H2;9H.
What are the key properties of N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride;pyrrolidine?
N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride;pyrrolidine has a molecular weight of 352.28 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride;pyrrolidine is sourced from PubChem (CID 118659621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).