ethyl 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)acetate

C8H8F9NO4S — CID 23236627

IUPACethyl 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)acetate
SMILESCCOC(=O)CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H8F9NO4S/c1-2-22-4(19)3-18-23(20,21)8(16,17)6(11,12)5(9,10)7(13,14)15/h18H,2-3H2,1H3
InChIKeyVZLTWGLUFASMEQ-UHFFFAOYSA-N
MW385.20 g/mol
LogP1.89
Rot. Bonds7

About ethyl 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)acetate

ethyl 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)acetate (PubChem CID 23236627) has the molecular formula C8H8F9NO4S and a molecular weight of 385.20 g/mol. Its IUPAC name is ethyl 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)acetate
PubChem CID23236627
Molecular FormulaC8H8F9NO4S
Molecular Weight385.20 g/mol
Exact Mass385.00
IUPAC Nameethyl 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)acetate
SMILESCCOC(=O)CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H8F9NO4S/c1-2-22-4(19)3-18-23(20,21)8(16,17)6(11,12)5(9,10)7(13,14)15/h18H,2-3H2,1H3
InChIKeyVZLTWGLUFASMEQ-UHFFFAOYSA-N
XLogP1.89
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.20
LogP ≤ 51.89
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

Glycine, N-ethyl-N-[(1,1,2,2,3,3,4,4,4-nonafluorobutyl)sulfonyl]-, ethyl ester
CID 105457
N-(Ethoxycarbonyl)Methyl-Trifluoromethanesulfonamide
CID 19081739
Ethyl 2-[[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethyl]sulfonylamino]propanoate
CID 23236630
2-(1,1,2,2,3,3,4,4,4-Nonafluorobutylsulfonylamino)ethyl 2-methylbutanoate
CID 23568284
2-(1,1,2,2-Tetrafluoroethylsulfonylamino)ethyl 2-methylbutanoate
CID 59940515
2-(1,1,2,2,3,3,3-Heptafluoropropylsulfonylamino)ethyl 2-methylbutanoate
CID 59940537
2-(1,1,2,2,2-Pentafluoroethylsulfonylamino)ethyl 2-methylbutanoate
CID 59940551
2-(1,1,2,2,3,3-Hexafluoropropylsulfonylamino)ethyl 2-methylbutanoate
CID 59940562
Ethyl 2-[bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]acetate
CID 85964232
Ethyl 2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonylamino)acetate
CID 85964235
Ethyl 2-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfonylamino)acetate
CID 85964241
Ethyl 2-[[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylamino]acetate
CID 87160079

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)acetate?
The IUPAC name of ethyl 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)acetate (CID 23236627) is ethyl 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)acetate.
What is the SMILES notation for ethyl 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)acetate?
The canonical SMILES for ethyl 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)acetate is CCOC(=O)CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of ethyl 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)acetate?
The InChIKey is VZLTWGLUFASMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F9NO4S/c1-2-22-4(19)3-18-23(20,21)8(16,17)6(11,12)5(9,10)7(13,14)15/h18H,2-3H2,1H3.
What are the key properties of ethyl 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)acetate?
ethyl 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)acetate has a molecular weight of 385.20 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)acetate is sourced from PubChem (CID 23236627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).