bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;dimethylazanium

C6H8F10N2O4S2 — CID 141392550

IUPACbis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;dimethylazanium
SMILESC[NH2+]C.O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4F10NO4S2.C2H7N/c5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10;1-3-2/h;3H,1-2H3/q-1;/p+1
InChIKeyWBLMTTZVWXBPES-UHFFFAOYSA-O
MW426.25 g/mol
LogP1.14
Rot. Bonds4

About bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;dimethylazanium

bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;dimethylazanium (PubChem CID 141392550) has the molecular formula C6H8F10N2O4S2 and a molecular weight of 426.25 g/mol. Its IUPAC name is bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;dimethylazanium.

Molecular Properties

Compound Namebis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;dimethylazanium
PubChem CID141392550
Molecular FormulaC6H8F10N2O4S2
Molecular Weight426.25 g/mol
Exact Mass425.98
IUPAC Namebis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;dimethylazanium
SMILESC[NH2+]C.O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4F10NO4S2.C2H7N/c5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10;1-3-2/h;3H,1-2H3/q-1;/p+1
InChIKeyWBLMTTZVWXBPES-UHFFFAOYSA-O
XLogP1.14
TPSA98.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.25
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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1,1,2,2,3,3,4,4,4-nonafluoro-N-(methylaminomethylsulfonyl)butane-1-sulfonamide
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N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride;tetramethylazanium
CID 118659642
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N,N-dimethylmethanamine;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride
CID 118659673
N-methylmethanamine;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride
CID 118659695
N-methylmethanamine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride
CID 118659705
Dimethylazanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 122481999
N-(trifluoromethylsulfonyl)sulfamate;trimethylazanium
CID 139431093

Frequently Asked Questions

What is the IUPAC name of bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;dimethylazanium?
The IUPAC name of bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;dimethylazanium (CID 141392550) is bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;dimethylazanium.
What is the SMILES notation for bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;dimethylazanium?
The canonical SMILES for bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;dimethylazanium is C[NH2+]C.O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;dimethylazanium?
The InChIKey is WBLMTTZVWXBPES-UHFFFAOYSA-O. The full InChI is InChI=1S/C4F10NO4S2.C2H7N/c5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10;1-3-2/h;3H,1-2H3/q-1;/p+1.
What are the key properties of bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;dimethylazanium?
bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;dimethylazanium has a molecular weight of 426.25 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;dimethylazanium is sourced from PubChem (CID 141392550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).