ethanol;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide

C6H8F9NO3S — CID 175057047

IUPACethanol;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
SMILESCCO.NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H2F9NO2S.C2H6O/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;1-2-3/h(H2,14,15,16);3H,2H2,1H3
InChIKeyINMGYZNSLHTQQU-UHFFFAOYSA-N
MW345.18 g/mol
LogP1.70
Rot. Bonds3

About ethanol;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide

ethanol;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide (PubChem CID 175057047) has the molecular formula C6H8F9NO3S and a molecular weight of 345.18 g/mol. Its IUPAC name is ethanol;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide.

Molecular Properties

Compound Nameethanol;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
PubChem CID175057047
Molecular FormulaC6H8F9NO3S
Molecular Weight345.18 g/mol
Exact Mass345.01
IUPAC Nameethanol;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
SMILESCCO.NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H2F9NO2S.C2H6O/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;1-2-3/h(H2,14,15,16);3H,2H2,1H3
InChIKeyINMGYZNSLHTQQU-UHFFFAOYSA-N
XLogP1.70
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.18
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-1-sulfonamide
CID 21267702
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide;1-nitrosopropane
CID 174701815
CID 173133738
CID 173133738
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide;triethoxy(propyl)silane
CID 175073073
ethanol;1,1,2,2,3,3,4,4,4-nonafluorobutan-1-amine
CID 175042472
1,1,2,2,3,3-hexafluoro-3-sulfamoylpropane-1-sulfonic acid
CID 151994142
methanol;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid
CID 144756171
ethanol;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecan-1-amine
CID 175197011
N,N-diethylethanamine;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid
CID 170852082
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
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
1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-propylpentane-1-sulfonamide
CID 19931113

Frequently Asked Questions

What is the IUPAC name of ethanol;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The IUPAC name of ethanol;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide (CID 175057047) is ethanol;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide.
What is the SMILES notation for ethanol;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The canonical SMILES for ethanol;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide is CCO.NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of ethanol;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The InChIKey is INMGYZNSLHTQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F9NO2S.C2H6O/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;1-2-3/h(H2,14,15,16);3H,2H2,1H3.
What are the key properties of ethanol;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
ethanol;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide has a molecular weight of 345.18 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide is sourced from PubChem (CID 175057047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).