2-(1,1,2,2,2-pentafluoroethylsulfonylamino)ethyl acetate

C6H8F5NO4S — CID 129294904

IUPAC2-(1,1,2,2,2-pentafluoroethylsulfonylamino)ethyl acetate
SMILESCC(=O)OCCNS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H8F5NO4S/c1-4(13)16-3-2-12-17(14,15)6(10,11)5(7,8)9/h12H,2-3H2,1H3
InChIKeyJTWIELBFPFHTJR-UHFFFAOYSA-N
MW285.19 g/mol
LogP0.62
Rot. Bonds5

About 2-(1,1,2,2,2-pentafluoroethylsulfonylamino)ethyl acetate

2-(1,1,2,2,2-pentafluoroethylsulfonylamino)ethyl acetate (PubChem CID 129294904) has the molecular formula C6H8F5NO4S and a molecular weight of 285.19 g/mol. Its IUPAC name is 2-(1,1,2,2,2-pentafluoroethylsulfonylamino)ethyl acetate.

Molecular Properties

Compound Name2-(1,1,2,2,2-pentafluoroethylsulfonylamino)ethyl acetate
PubChem CID129294904
Molecular FormulaC6H8F5NO4S
Molecular Weight285.19 g/mol
Exact Mass285.01
IUPAC Name2-(1,1,2,2,2-pentafluoroethylsulfonylamino)ethyl acetate
SMILESCC(=O)OCCNS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H8F5NO4S/c1-4(13)16-3-2-12-17(14,15)6(10,11)5(7,8)9/h12H,2-3H2,1H3
InChIKeyJTWIELBFPFHTJR-UHFFFAOYSA-N
XLogP0.62
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(Ethoxycarbonyl)Methyl-Trifluoromethanesulfonamide
CID 19081739
Ethyl 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)acetate
CID 23236627
[(2S)-2-(trifluoromethylsulfonylamino)butyl] acetate
CID 176436283
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-(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
Ethyl 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylamino)acetate
CID 88169707

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,2-pentafluoroethylsulfonylamino)ethyl acetate?
The IUPAC name of 2-(1,1,2,2,2-pentafluoroethylsulfonylamino)ethyl acetate (CID 129294904) is 2-(1,1,2,2,2-pentafluoroethylsulfonylamino)ethyl acetate.
What is the SMILES notation for 2-(1,1,2,2,2-pentafluoroethylsulfonylamino)ethyl acetate?
The canonical SMILES for 2-(1,1,2,2,2-pentafluoroethylsulfonylamino)ethyl acetate is CC(=O)OCCNS(=O)(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-(1,1,2,2,2-pentafluoroethylsulfonylamino)ethyl acetate?
The InChIKey is JTWIELBFPFHTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F5NO4S/c1-4(13)16-3-2-12-17(14,15)6(10,11)5(7,8)9/h12H,2-3H2,1H3.
What are the key properties of 2-(1,1,2,2,2-pentafluoroethylsulfonylamino)ethyl acetate?
2-(1,1,2,2,2-pentafluoroethylsulfonylamino)ethyl acetate has a molecular weight of 285.19 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,2-pentafluoroethylsulfonylamino)ethyl acetate is sourced from PubChem (CID 129294904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).