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

C7H10F10N2O4S2 — CID 141425026

IUPACbis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;trimethylazanium
SMILESC[NH+](C)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.C3H9N/c5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10;1-4(2)3/h;1-3H3/q-1;/p+1
InChIKeyNZQDHTBINYJEPH-UHFFFAOYSA-O
MW440.28 g/mol
LogP1.09
Rot. Bonds4

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

bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;trimethylazanium (PubChem CID 141425026) has the molecular formula C7H10F10N2O4S2 and a molecular weight of 440.28 g/mol. Its IUPAC name is bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;trimethylazanium.

Molecular Properties

Compound Namebis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;trimethylazanium
PubChem CID141425026
Molecular FormulaC7H10F10N2O4S2
Molecular Weight440.28 g/mol
Exact Mass439.99
IUPAC Namebis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;trimethylazanium
SMILESC[NH+](C)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.C3H9N/c5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10;1-4(2)3/h;1-3H3/q-1;/p+1
InChIKeyNZQDHTBINYJEPH-UHFFFAOYSA-O
XLogP1.09
TPSA86.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.28
LogP ≤ 51.09
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-octafluoro-N,N'-dimethylbutane-1,4-disulfonamide
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N-(dimethylsulfamoyl)-1,1,2,2,2-pentafluoroethanesulfonamide
CID 87996733
1,1,2,2,3,3,4,4,4-nonafluoro-N-(methylaminomethylsulfonyl)butane-1-sulfonamide
CID 118155834
N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride;tetramethylazanium
CID 118659642
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
1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonate;trimethylazanium
CID 135351771
N-(trifluoromethylsulfonyl)sulfamate;trimethylazanium
CID 139431093
Bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;dimethylazanium
CID 141392550

Frequently Asked Questions

What is the IUPAC name of bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;trimethylazanium?
The IUPAC name of bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;trimethylazanium (CID 141425026) is bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;trimethylazanium.
What is the SMILES notation for bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;trimethylazanium?
The canonical SMILES for bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;trimethylazanium is C[NH+](C)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;trimethylazanium?
The InChIKey is NZQDHTBINYJEPH-UHFFFAOYSA-O. The full InChI is InChI=1S/C4F10NO4S2.C3H9N/c5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10;1-4(2)3/h;1-3H3/q-1;/p+1.
What are the key properties of bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;trimethylazanium?
bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;trimethylazanium has a molecular weight of 440.28 g/mol, XLogP of 1.09, 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;trimethylazanium is sourced from PubChem (CID 141425026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).