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

C8H8F9NO4S — CID 129294908

IUPAC2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)ethyl acetate
SMILESCC(=O)OCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H8F9NO4S/c1-4(19)22-3-2-18-23(20,21)8(16,17)6(11,12)5(9,10)7(13,14)15/h18H,2-3H2,1H3
InChIKeyKTEGNUFLHLGIBX-UHFFFAOYSA-N
MW385.20 g/mol
LogP1.89
Rot. Bonds7

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

2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)ethyl acetate (PubChem CID 129294908) has the molecular formula C8H8F9NO4S and a molecular weight of 385.20 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)ethyl acetate.

Molecular Properties

Compound Name2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)ethyl acetate
PubChem CID129294908
Molecular FormulaC8H8F9NO4S
Molecular Weight385.20 g/mol
Exact Mass385.00
IUPAC Name2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)ethyl acetate
SMILESCC(=O)OCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H8F9NO4S/c1-4(19)22-3-2-18-23(20,21)8(16,17)6(11,12)5(9,10)7(13,14)15/h18H,2-3H2,1H3
InChIKeyKTEGNUFLHLGIBX-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)ethyl prop-2-enoate
CID 87091666
1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-propylpentane-1-sulfonamide
CID 19931113
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptacosafluoro-N-propyltridecane-1-sulfonamide
CID 165364439
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluoro-N-(2-hydroxyethyl)decane-1-sulfonamide
CID 57144434
N-(2-ethenoxyethyl)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
CID 18759484
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecyl acetate
CID 121274321
azanium 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)ethanolate
CID 134814664
1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-(4-hydroxybutyl)hexane-1-sulfonamide
CID 141055320
1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxy-2-methylpropyl)butane-1-sulfonamide
CID 175332736
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonylamino)acetic acid
CID 139595852
3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylamino)propyl-hydroxy-dimethylazanium
CID 163324069
carboxymethyl-dimethyl-[3-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonylamino)propyl]azanium
CID 139597193

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)ethyl acetate?
The IUPAC name of 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)ethyl acetate (CID 129294908) is 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)ethyl acetate.
What is the SMILES notation for 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)ethyl acetate?
The canonical SMILES for 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)ethyl acetate is CC(=O)OCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)ethyl acetate?
The InChIKey is KTEGNUFLHLGIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F9NO4S/c1-4(19)22-3-2-18-23(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 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)ethyl acetate?
2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)ethyl 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 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)ethyl acetate is sourced from PubChem (CID 129294908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).