bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;trimethyl(oxiran-2-ylmethyl)azanium

C10H14F10N2O5S2 — CID 140912338

IUPACbis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;trimethyl(oxiran-2-ylmethyl)azanium
SMILESC[N+](C)(C)CC1CO1.O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H14NO.C4F10NO4S2/c1-7(2,3)4-6-5-8-6;5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10/h6H,4-5H2,1-3H3;/q+1;-1
InChIKeyIILQNUZKFVHZNR-UHFFFAOYSA-N
MW496.35 g/mol
LogP2.42
Rot. Bonds6

About bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;trimethyl(oxiran-2-ylmethyl)azanium

bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;trimethyl(oxiran-2-ylmethyl)azanium (PubChem CID 140912338) has the molecular formula C10H14F10N2O5S2 and a molecular weight of 496.35 g/mol. Its IUPAC name is bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;trimethyl(oxiran-2-ylmethyl)azanium.

Molecular Properties

Compound Namebis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;trimethyl(oxiran-2-ylmethyl)azanium
PubChem CID140912338
Molecular FormulaC10H14F10N2O5S2
Molecular Weight496.35 g/mol
Exact Mass496.02
IUPAC Namebis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;trimethyl(oxiran-2-ylmethyl)azanium
SMILESC[N+](C)(C)CC1CO1.O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H14NO.C4F10NO4S2/c1-7(2,3)4-6-5-8-6;5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10/h6H,4-5H2,1-3H3;/q+1;-1
InChIKeyIILQNUZKFVHZNR-UHFFFAOYSA-N
XLogP2.42
TPSA94.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.35
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;trimethyl(oxiran-2-ylmethyl)azanium?
The IUPAC name of bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;trimethyl(oxiran-2-ylmethyl)azanium (CID 140912338) is bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;trimethyl(oxiran-2-ylmethyl)azanium.
What is the SMILES notation for bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;trimethyl(oxiran-2-ylmethyl)azanium?
The canonical SMILES for bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;trimethyl(oxiran-2-ylmethyl)azanium is C[N+](C)(C)CC1CO1.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;trimethyl(oxiran-2-ylmethyl)azanium?
The InChIKey is IILQNUZKFVHZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO.C4F10NO4S2/c1-7(2,3)4-6-5-8-6;5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10/h6H,4-5H2,1-3H3;/q+1;-1.
What are the key properties of bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;trimethyl(oxiran-2-ylmethyl)azanium?
bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;trimethyl(oxiran-2-ylmethyl)azanium has a molecular weight of 496.35 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;trimethyl(oxiran-2-ylmethyl)azanium is sourced from PubChem (CID 140912338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).