2-(acetylsulfamoyl)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate

C8H8F7NO5S — CID 90380821

IUPAC2-(acetylsulfamoyl)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate
SMILESCC(=O)NS(=O)(=O)CCOC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H8F7NO5S/c1-4(17)16-22(19,20)3-2-21-5(18)6(9,10)7(11,12)8(13,14)15/h2-3H2,1H3,(H,16,17)
InChIKeyCEAKZSDREZFHJS-UHFFFAOYSA-N
MW363.21 g/mol
LogP0.83
Rot. Bonds6

About 2-(acetylsulfamoyl)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate

2-(acetylsulfamoyl)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate (PubChem CID 90380821) has the molecular formula C8H8F7NO5S and a molecular weight of 363.21 g/mol. Its IUPAC name is 2-(acetylsulfamoyl)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate.

Molecular Properties

Compound Name2-(acetylsulfamoyl)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate
PubChem CID90380821
Molecular FormulaC8H8F7NO5S
Molecular Weight363.21 g/mol
Exact Mass363.00
IUPAC Name2-(acetylsulfamoyl)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate
SMILESCC(=O)NS(=O)(=O)CCOC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H8F7NO5S/c1-4(17)16-22(19,20)3-2-21-5(18)6(9,10)7(11,12)8(13,14)15/h2-3H2,1H3,(H,16,17)
InChIKeyCEAKZSDREZFHJS-UHFFFAOYSA-N
XLogP0.83
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(1,1,2,2,2-Pentafluoroethylsulfamoyl)propyl 2,2-dimethylbutanoate
CID 88575501
2-[(2,2,2-Trifluoroacetyl)sulfamoyl]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 90380823
2-Fluoropropyl 2-(butanoylsulfamoyl)acetate
CID 163848299
2-(2,2,3,3,4,4,4-Heptafluorobutanoylsulfamoyl)ethyl 2,2-difluoropropanoate
CID 163871503
2-[2-(Butanoylsulfamoyl)acetyl]oxy-1-fluoroethanesulfonate
CID 170528993
Methyl 4-(3,3,3-trifluoropropylsulfamoyl)butanoate
CID 63226126
Methyl 4-(2,2,3,3-tetrafluoropropylsulfamoyl)butanoate
CID 106290563

Frequently Asked Questions

What is the IUPAC name of 2-(acetylsulfamoyl)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate?
The IUPAC name of 2-(acetylsulfamoyl)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate (CID 90380821) is 2-(acetylsulfamoyl)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate.
What is the SMILES notation for 2-(acetylsulfamoyl)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate?
The canonical SMILES for 2-(acetylsulfamoyl)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate is CC(=O)NS(=O)(=O)CCOC(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-(acetylsulfamoyl)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate?
The InChIKey is CEAKZSDREZFHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F7NO5S/c1-4(17)16-22(19,20)3-2-21-5(18)6(9,10)7(11,12)8(13,14)15/h2-3H2,1H3,(H,16,17).
What are the key properties of 2-(acetylsulfamoyl)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate?
2-(acetylsulfamoyl)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate has a molecular weight of 363.21 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(acetylsulfamoyl)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate is sourced from PubChem (CID 90380821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).