2-(1,1,2,2,3,3,3-heptafluoropropylsulfonylamino)ethyl acetate

C7H8F7NO4S — CID 129294900

IUPAC2-(1,1,2,2,3,3,3-heptafluoropropylsulfonylamino)ethyl acetate
SMILESCC(=O)OCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H8F7NO4S/c1-4(16)19-3-2-15-20(17,18)7(13,14)5(8,9)6(10,11)12/h15H,2-3H2,1H3
InChIKeyKFSDCQPQGGIACD-UHFFFAOYSA-N
MW335.20 g/mol
LogP1.26
Rot. Bonds6

About 2-(1,1,2,2,3,3,3-heptafluoropropylsulfonylamino)ethyl acetate

2-(1,1,2,2,3,3,3-heptafluoropropylsulfonylamino)ethyl acetate (PubChem CID 129294900) has the molecular formula C7H8F7NO4S and a molecular weight of 335.20 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3,3-heptafluoropropylsulfonylamino)ethyl acetate.

Molecular Properties

Compound Name2-(1,1,2,2,3,3,3-heptafluoropropylsulfonylamino)ethyl acetate
PubChem CID129294900
Molecular FormulaC7H8F7NO4S
Molecular Weight335.20 g/mol
Exact Mass335.01
IUPAC Name2-(1,1,2,2,3,3,3-heptafluoropropylsulfonylamino)ethyl acetate
SMILESCC(=O)OCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H8F7NO4S/c1-4(16)19-3-2-15-20(17,18)7(13,14)5(8,9)6(10,11)12/h15H,2-3H2,1H3
InChIKeyKFSDCQPQGGIACD-UHFFFAOYSA-N
XLogP1.26
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 51.26
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

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CID 19081739
Ethyl 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)acetate
CID 23236627
[(2S)-2-(trifluoromethylsulfonylamino)butyl] acetate
CID 176436283
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-(1,1,2,2,3,3,4,4,5,5,5-Undecafluoropentylsulfonylamino)ethyl 2-methylbutanoate
CID 59940536
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

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,3,3,3-heptafluoropropylsulfonylamino)ethyl acetate?
The IUPAC name of 2-(1,1,2,2,3,3,3-heptafluoropropylsulfonylamino)ethyl acetate (CID 129294900) is 2-(1,1,2,2,3,3,3-heptafluoropropylsulfonylamino)ethyl acetate.
What is the SMILES notation for 2-(1,1,2,2,3,3,3-heptafluoropropylsulfonylamino)ethyl acetate?
The canonical SMILES for 2-(1,1,2,2,3,3,3-heptafluoropropylsulfonylamino)ethyl acetate is CC(=O)OCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-(1,1,2,2,3,3,3-heptafluoropropylsulfonylamino)ethyl acetate?
The InChIKey is KFSDCQPQGGIACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F7NO4S/c1-4(16)19-3-2-15-20(17,18)7(13,14)5(8,9)6(10,11)12/h15H,2-3H2,1H3.
What are the key properties of 2-(1,1,2,2,3,3,3-heptafluoropropylsulfonylamino)ethyl acetate?
2-(1,1,2,2,3,3,3-heptafluoropropylsulfonylamino)ethyl acetate has a molecular weight of 335.20 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3,3-heptafluoropropylsulfonylamino)ethyl acetate is sourced from PubChem (CID 129294900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).