N,N-bis(2-ethylhexyl)-1,1,2,2,3,3-hexafluorobutane-1-sulfonamide

C20H37F6NO2S — CID 88916732

IUPACN,N-bis(2-ethylhexyl)-1,1,2,2,3,3-hexafluorobutane-1-sulfonamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)S(=O)(=O)C(F)(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C20H37F6NO2S/c1-6-10-12-16(8-3)14-27(15-17(9-4)13-11-7-2)30(28,29)20(25,26)19(23,24)18(5,21)22/h16-17H,6-15H2,1-5H3
InChIKeyJNNIIZGGAUWACA-UHFFFAOYSA-N
MW469.58 g/mol
LogP6.93
Rot. Bonds16

About N,N-bis(2-ethylhexyl)-1,1,2,2,3,3-hexafluorobutane-1-sulfonamide

N,N-bis(2-ethylhexyl)-1,1,2,2,3,3-hexafluorobutane-1-sulfonamide (PubChem CID 88916732) has the molecular formula C20H37F6NO2S and a molecular weight of 469.58 g/mol. Its IUPAC name is N,N-bis(2-ethylhexyl)-1,1,2,2,3,3-hexafluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN,N-bis(2-ethylhexyl)-1,1,2,2,3,3-hexafluorobutane-1-sulfonamide
PubChem CID88916732
Molecular FormulaC20H37F6NO2S
Molecular Weight469.58 g/mol
Exact Mass469.24
IUPAC NameN,N-bis(2-ethylhexyl)-1,1,2,2,3,3-hexafluorobutane-1-sulfonamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)S(=O)(=O)C(F)(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C20H37F6NO2S/c1-6-10-12-16(8-3)14-27(15-17(9-4)13-11-7-2)30(28,29)20(25,26)19(23,24)18(5,21)22/h16-17H,6-15H2,1-5H3
InChIKeyJNNIIZGGAUWACA-UHFFFAOYSA-N
XLogP6.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.58
LogP ≤ 56.93
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-[bis(2-ethylhexyl)sulfamoyl]-S-(difluoromethyl)sulfonimidoyl] hypofluorite
CID 20705423
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-methyl-N-octadecyloctane-1-sulfonamide
CID 21418861
N,N-bis[3-(dimethylamino)propyl]-6,7,7,7-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)heptane-1-sulfonamide
CID 57709884
N,N-bis(2-ethylhexyl)-1,1-difluoroethanesulfonamide
CID 58122741
N,N-bis(2-ethylhexyl)-1,1-difluoromethanesulfonamide
CID 58435992
N,N-bis(2-ethylhexyl)-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide
CID 58961966
N,N-bis(2-ethylhexyl)-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide
CID 58961967
Bis(2-ethylhexyl)sulfamoyl-(trifluoromethylsulfonyl)azanide
CID 59046684
N-[bis(2-ethylhexyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide
CID 59046685
3,5-Ditert-butyl-1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine
CID 88869797
5-[Butyl(2-ethylhexyl)sulfamoyl]-4,4-difluoroheptane-3-sulfonic acid
CID 89153415
5-(Dibutylsulfamoyl)-3,5-diethyl-4,4-difluoroheptane-3-sulfonic acid
CID 89153479

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-ethylhexyl)-1,1,2,2,3,3-hexafluorobutane-1-sulfonamide?
The IUPAC name of N,N-bis(2-ethylhexyl)-1,1,2,2,3,3-hexafluorobutane-1-sulfonamide (CID 88916732) is N,N-bis(2-ethylhexyl)-1,1,2,2,3,3-hexafluorobutane-1-sulfonamide.
What is the SMILES notation for N,N-bis(2-ethylhexyl)-1,1,2,2,3,3-hexafluorobutane-1-sulfonamide?
The canonical SMILES for N,N-bis(2-ethylhexyl)-1,1,2,2,3,3-hexafluorobutane-1-sulfonamide is CCCCC(CC)CN(CC(CC)CCCC)S(=O)(=O)C(F)(F)C(F)(F)C(C)(F)F.
What is the InChIKey of N,N-bis(2-ethylhexyl)-1,1,2,2,3,3-hexafluorobutane-1-sulfonamide?
The InChIKey is JNNIIZGGAUWACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37F6NO2S/c1-6-10-12-16(8-3)14-27(15-17(9-4)13-11-7-2)30(28,29)20(25,26)19(23,24)18(5,21)22/h16-17H,6-15H2,1-5H3.
What are the key properties of N,N-bis(2-ethylhexyl)-1,1,2,2,3,3-hexafluorobutane-1-sulfonamide?
N,N-bis(2-ethylhexyl)-1,1,2,2,3,3-hexafluorobutane-1-sulfonamide has a molecular weight of 469.58 g/mol, XLogP of 6.93, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-ethylhexyl)-1,1,2,2,3,3-hexafluorobutane-1-sulfonamide is sourced from PubChem (CID 88916732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).