1,1,2,2,2-pentafluoro-N,N-dimethylethanesulfonamide

C4H6F5NO2S — CID 21102949

IUPAC1,1,2,2,2-pentafluoro-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H6F5NO2S/c1-10(2)13(11,12)4(8,9)3(5,6)7/h1-2H3
InChIKeyPZAGLLDCDLRHGR-UHFFFAOYSA-N
MW227.15 g/mol
LogP1.03
Rot. Bonds2

About 1,1,2,2,2-pentafluoro-N,N-dimethylethanesulfonamide

1,1,2,2,2-pentafluoro-N,N-dimethylethanesulfonamide (PubChem CID 21102949) has the molecular formula C4H6F5NO2S and a molecular weight of 227.15 g/mol. Its IUPAC name is 1,1,2,2,2-pentafluoro-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name1,1,2,2,2-pentafluoro-N,N-dimethylethanesulfonamide
PubChem CID21102949
Molecular FormulaC4H6F5NO2S
Molecular Weight227.15 g/mol
Exact Mass227.00
IUPAC Name1,1,2,2,2-pentafluoro-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H6F5NO2S/c1-10(2)13(11,12)4(8,9)3(5,6)7/h1-2H3
InChIKeyPZAGLLDCDLRHGR-UHFFFAOYSA-N
XLogP1.03
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.15
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluoro-N,N-dimethylhexane-1-sulfonamide
CID 125498344
N-ethyl-N-methyl-1,1,2,2,2-pentafluoro-ethanesulfonamide
CID 102441606
1,1,1,2,3,3,3-heptafluoro-N,N-dimethylpropane-2-sulfinamide
CID 23236283
N,N-Dimethyl-1,1,2,2,3,3,4,4,4-nonafluoro-1-butanesulfonamide
CID 15345998
1,1,2,2,3,3,3-Heptafluoropropane-1-sulfonate;tetramethylazanium
CID 23287339
1,1,2,2,2-pentafluoro-N-(2-fluoroethyl)-N-methylethanesulfonamide
CID 57711940
1,1,3,3-tetrafluoro-N,N-dimethylpropane-1-sulfonamide
CID 58435975
1,1,2,2-tetrafluoro-N,N-dimethylethanesulfonamide
CID 87658673
N-(dimethylsulfamoyl)-1,1,2,2,2-pentafluoroethanesulfonamide
CID 87996733
1,1,2,2,3,3-hexafluoro-N,N-dimethylpropane-1-sulfonamide
CID 126638186
1,1,2,2,2-Pentafluoroethanesulfonate;tetramethylazanium
CID 139914355
1,1,2,2,3,3-Hexafluorobutylsulfonyl(methyl)azanide
CID 164102765

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,2-pentafluoro-N,N-dimethylethanesulfonamide?
The IUPAC name of 1,1,2,2,2-pentafluoro-N,N-dimethylethanesulfonamide (CID 21102949) is 1,1,2,2,2-pentafluoro-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 1,1,2,2,2-pentafluoro-N,N-dimethylethanesulfonamide?
The canonical SMILES for 1,1,2,2,2-pentafluoro-N,N-dimethylethanesulfonamide is CN(C)S(=O)(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,2-pentafluoro-N,N-dimethylethanesulfonamide?
The InChIKey is PZAGLLDCDLRHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F5NO2S/c1-10(2)13(11,12)4(8,9)3(5,6)7/h1-2H3.
What are the key properties of 1,1,2,2,2-pentafluoro-N,N-dimethylethanesulfonamide?
1,1,2,2,2-pentafluoro-N,N-dimethylethanesulfonamide has a molecular weight of 227.15 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,2-pentafluoro-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 21102949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).