2-[[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethyl]sulfonylamino]acetic acid

C6H4F8INO5S — CID 23245249

IUPAC2-[[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethyl]sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)I
InChIInChI=1S/C6H4F8INO5S/c7-3(8,15)4(9,10)21-5(11,12)6(13,14)22(19,20)16-1-2(17)18/h16H,1H2,(H,17,18)
InChIKeyUSLCSGQWSVYSJC-UHFFFAOYSA-N
MW481.06 g/mol
LogP1.81
Rot. Bonds8

About 2-[[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethyl]sulfonylamino]acetic acid

2-[[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethyl]sulfonylamino]acetic acid (PubChem CID 23245249) has the molecular formula C6H4F8INO5S and a molecular weight of 481.06 g/mol. Its IUPAC name is 2-[[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethyl]sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethyl]sulfonylamino]acetic acid
PubChem CID23245249
Molecular FormulaC6H4F8INO5S
Molecular Weight481.06 g/mol
Exact Mass480.87
IUPAC Name2-[[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethyl]sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)I
InChIInChI=1S/C6H4F8INO5S/c7-3(8,15)4(9,10)21-5(11,12)6(13,14)22(19,20)16-1-2(17)18/h16H,1H2,(H,17,18)
InChIKeyUSLCSGQWSVYSJC-UHFFFAOYSA-N
XLogP1.81
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.06
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Perfluorobutyl) sulfonamido acetic acid
CID 10784527
2-(1,1,2,2,3,3,4,4,5,5,5-Undecafluoropentylsulfonylamino)acetic acid
CID 21267707
2-[[1,1,2,2-Tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethyl]sulfonylamino]propanoic acid
CID 11466075
N-[(Perfluoroethyl)sulfonyl]glycine
CID 163324087
N-[(Perfluoropropyl)sulfonyl]glycine
CID 163324088
2-(1,1,2,2,3-Pentafluoropropylsulfonylamino)acetic acid
CID 130374951

Frequently Asked Questions

What is the IUPAC name of 2-[[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethyl]sulfonylamino]acetic acid?
The IUPAC name of 2-[[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethyl]sulfonylamino]acetic acid (CID 23245249) is 2-[[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethyl]sulfonylamino]acetic acid.
What is the SMILES notation for 2-[[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethyl]sulfonylamino]acetic acid?
The canonical SMILES for 2-[[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethyl]sulfonylamino]acetic acid is O=C(O)CNS(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)I.
What is the InChIKey of 2-[[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethyl]sulfonylamino]acetic acid?
The InChIKey is USLCSGQWSVYSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F8INO5S/c7-3(8,15)4(9,10)21-5(11,12)6(13,14)22(19,20)16-1-2(17)18/h16H,1H2,(H,17,18).
What are the key properties of 2-[[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethyl]sulfonylamino]acetic acid?
2-[[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethyl]sulfonylamino]acetic acid has a molecular weight of 481.06 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethyl]sulfonylamino]acetic acid is sourced from PubChem (CID 23245249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).