bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethanesulfonate

C8HF18NO8S3-2 — CID 157097160

IUPACbis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethanesulfonate
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)OC(F)C(F)(F)F
InChIInChI=1S/C4F10NO4S2.C4H2F8O4S/c5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10;5-1(2(6,7)8)16-3(9,10)4(11,12)17(13,14)15/h;1H,(H,13,14,15)/q-1;/p-1
InChIKeyAFIPGNPKUCKXSS-UHFFFAOYSA-M
MW677.26 g/mol
LogP3.92
Rot. Bonds8

About bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethanesulfonate

bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethanesulfonate (PubChem CID 157097160) has the molecular formula C8HF18NO8S3-2 and a molecular weight of 677.26 g/mol. Its IUPAC name is bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethanesulfonate.

Molecular Properties

Compound Namebis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethanesulfonate
PubChem CID157097160
Molecular FormulaC8HF18NO8S3-2
Molecular Weight677.26 g/mol
Exact Mass676.86
IUPAC Namebis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethanesulfonate
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)OC(F)C(F)(F)F
InChIInChI=1S/C4F10NO4S2.C4H2F8O4S/c5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10;5-1(2(6,7)8)16-3(9,10)4(11,12)17(13,14)15/h;1H,(H,13,14,15)/q-1;/p-1
InChIKeyAFIPGNPKUCKXSS-UHFFFAOYSA-M
XLogP3.92
TPSA148.81 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500677.26
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethanesulfonate?
The IUPAC name of bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethanesulfonate (CID 157097160) is bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethanesulfonate.
What is the SMILES notation for bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethanesulfonate?
The canonical SMILES for bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethanesulfonate is O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)OC(F)C(F)(F)F.
What is the InChIKey of bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethanesulfonate?
The InChIKey is AFIPGNPKUCKXSS-UHFFFAOYSA-M. The full InChI is InChI=1S/C4F10NO4S2.C4H2F8O4S/c5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10;5-1(2(6,7)8)16-3(9,10)4(11,12)17(13,14)15/h;1H,(H,13,14,15)/q-1;/p-1.
What are the key properties of bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethanesulfonate?
bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethanesulfonate has a molecular weight of 677.26 g/mol, XLogP of 3.92, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethanesulfonate is sourced from PubChem (CID 157097160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).