1,1,1,2,2-pentafluoro-2-[1,1,2,2,2-pentafluoroethyl(sulfinato)amino]ethane

C4F10NO2S- — CID 162617772

IUPAC1,1,1,2,2-pentafluoro-2-[1,1,2,2,2-pentafluoroethyl(sulfinato)amino]ethane
SMILESO=S([O-])N(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4HF10NO2S/c5-1(6,7)3(11,12)15(18(16)17)4(13,14)2(8,9)10/h(H,16,17)/p-1
InChIKeyWAYJSISJOOGJMH-UHFFFAOYSA-M
MW316.10 g/mol
LogP2.39
Rot. Bonds3

About 1,1,1,2,2-pentafluoro-2-[1,1,2,2,2-pentafluoroethyl(sulfinato)amino]ethane

1,1,1,2,2-pentafluoro-2-[1,1,2,2,2-pentafluoroethyl(sulfinato)amino]ethane (PubChem CID 162617772) has the molecular formula C4F10NO2S- and a molecular weight of 316.10 g/mol. Its IUPAC name is 1,1,1,2,2-pentafluoro-2-[1,1,2,2,2-pentafluoroethyl(sulfinato)amino]ethane.

Molecular Properties

Compound Name1,1,1,2,2-pentafluoro-2-[1,1,2,2,2-pentafluoroethyl(sulfinato)amino]ethane
PubChem CID162617772
Molecular FormulaC4F10NO2S-
Molecular Weight316.10 g/mol
Exact Mass315.95
IUPAC Name1,1,1,2,2-pentafluoro-2-[1,1,2,2,2-pentafluoroethyl(sulfinato)amino]ethane
SMILESO=S([O-])N(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4HF10NO2S/c5-1(6,7)3(11,12)15(18(16)17)4(13,14)2(8,9)10/h(H,16,17)/p-1
InChIKeyWAYJSISJOOGJMH-UHFFFAOYSA-M
XLogP2.39
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.10
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

CID 149250481
CID 149250481
tris(trifluoromethanesulfinate);ytterbium(3+)
CID 134992343
2-methyl-2-[2-methylbutan-2-yl(sulfinato)amino]butane
CID 91586029
cobalt(2+) sulfite
CID 18760923
ruthenium(2+) sulfite
CID 22610794
dicopper disulfite
CID 170844287
disodium;sulfite
CID 516934
bis(lutetium(3+));trisulfite
CID 159878392
chromium(2+) sulfite
CID 22462027
potassium;hydride;1,1,2,2,2-pentafluoroethanesulfinate
CID 174997119
ethane;trifluoromethanesulfinate
CID 89437311
2,2,3,3,3-pentafluoropropane-1-sulfinate
CID 23206815

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2-pentafluoro-2-[1,1,2,2,2-pentafluoroethyl(sulfinato)amino]ethane?
The IUPAC name of 1,1,1,2,2-pentafluoro-2-[1,1,2,2,2-pentafluoroethyl(sulfinato)amino]ethane (CID 162617772) is 1,1,1,2,2-pentafluoro-2-[1,1,2,2,2-pentafluoroethyl(sulfinato)amino]ethane.
What is the SMILES notation for 1,1,1,2,2-pentafluoro-2-[1,1,2,2,2-pentafluoroethyl(sulfinato)amino]ethane?
The canonical SMILES for 1,1,1,2,2-pentafluoro-2-[1,1,2,2,2-pentafluoroethyl(sulfinato)amino]ethane is O=S([O-])N(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2-pentafluoro-2-[1,1,2,2,2-pentafluoroethyl(sulfinato)amino]ethane?
The InChIKey is WAYJSISJOOGJMH-UHFFFAOYSA-M. The full InChI is InChI=1S/C4HF10NO2S/c5-1(6,7)3(11,12)15(18(16)17)4(13,14)2(8,9)10/h(H,16,17)/p-1.
What are the key properties of 1,1,1,2,2-pentafluoro-2-[1,1,2,2,2-pentafluoroethyl(sulfinato)amino]ethane?
1,1,1,2,2-pentafluoro-2-[1,1,2,2,2-pentafluoroethyl(sulfinato)amino]ethane has a molecular weight of 316.10 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2-pentafluoro-2-[1,1,2,2,2-pentafluoroethyl(sulfinato)amino]ethane is sourced from PubChem (CID 162617772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).