N,N-diethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide

C8H10F9NO2S — CID 19813947

IUPACN,N-diethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H10F9NO2S/c1-3-18(4-2)21(19,20)8(16,17)6(11,12)5(9,10)7(13,14)15/h3-4H2,1-2H3
InChIKeyLCFRHFXYFVOCGZ-UHFFFAOYSA-N
MW355.22 g/mol
LogP3.08
Rot. Bonds6

About N,N-diethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide

N,N-diethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide (PubChem CID 19813947) has the molecular formula C8H10F9NO2S and a molecular weight of 355.22 g/mol. Its IUPAC name is N,N-diethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
PubChem CID19813947
Molecular FormulaC8H10F9NO2S
Molecular Weight355.22 g/mol
Exact Mass355.03
IUPAC NameN,N-diethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H10F9NO2S/c1-3-18(4-2)21(19,20)8(16,17)6(11,12)5(9,10)7(13,14)15/h3-4H2,1-2H3
InChIKeyLCFRHFXYFVOCGZ-UHFFFAOYSA-N
XLogP3.08
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-Dimethyl-N-(propan-2-yl)propan-2-aminium nonafluorobutane-1-sulfonate
CID 21079907
N-Ethyl-1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide
CID 17856182
N-Ethyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-methylhexane-1-sulfonamide
CID 22665224
N,N-Diethyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide
CID 125498317
AI 3-10707
CID 159193
Tetraethylammonium perfluorohexane sulfonate
CID 23110977
N,N-Diethyl-1,1,1-trifluoromethanesulfonamide
CID 17751979
N-ethyl-N-methyl-1,1,2,2,2-pentafluoro-ethanesulfonamide
CID 102441606
N,N-diethyl-1,1,2,2,2-pentafluoro-ethanesulfonamide
CID 102441608
N,N-diethyl-a-hydrotetrafluoroethane-sulfonamide
CID 129803531
1,1,2,2,3,3,4,4,4-nonafluoro-N,N-di(propan-2-yl)butane-1-sulfonamide
CID 101221539
N,N-diethyl-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 18421315

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The IUPAC name of N,N-diethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide (CID 19813947) is N,N-diethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide.
What is the SMILES notation for N,N-diethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The canonical SMILES for N,N-diethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide is CCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N,N-diethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The InChIKey is LCFRHFXYFVOCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F9NO2S/c1-3-18(4-2)21(19,20)8(16,17)6(11,12)5(9,10)7(13,14)15/h3-4H2,1-2H3.
What are the key properties of N,N-diethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
N,N-diethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide has a molecular weight of 355.22 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide is sourced from PubChem (CID 19813947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).