4,4,4-trifluoro-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide

C8H16F3NO4S — CID 83058513

IUPAC4,4,4-trifluoro-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)N(CCO)CCO
InChIInChI=1S/C8H16F3NO4S/c9-8(10,11)2-1-7-17(15,16)12(3-5-13)4-6-14/h13-14H,1-7H2
InChIKeyGQYCSLDZLBETSZ-UHFFFAOYSA-N
MW279.28 g/mol
LogP-0.05
Rot. Bonds8

About 4,4,4-trifluoro-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide

4,4,4-trifluoro-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide (PubChem CID 83058513) has the molecular formula C8H16F3NO4S and a molecular weight of 279.28 g/mol. Its IUPAC name is 4,4,4-trifluoro-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide
PubChem CID83058513
Molecular FormulaC8H16F3NO4S
Molecular Weight279.28 g/mol
Exact Mass279.08
IUPAC Name4,4,4-trifluoro-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)N(CCO)CCO
InChIInChI=1S/C8H16F3NO4S/c9-8(10,11)2-1-7-17(15,16)12(3-5-13)4-6-14/h13-14H,1-7H2
InChIKeyGQYCSLDZLBETSZ-UHFFFAOYSA-N
XLogP-0.05
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,1,2,2,3,3,4,4,4-Nonafluoro-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide
CID 118689
1-Pentanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(2-hydroxyethyl)-
CID 110553
1-Butanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxyethyl)-
CID 118686
1,1,2,3,3,3-Hexafluoro-N,N-bis(2-hydroxyethyl)-2-(trifluoromethyl)propane-1-sulphonamide
CID 3022204
1,1,2,2,3,3,4,4-Octafluoro-N,N-bis(2-hydroxyethyl)butane-1-sulphonamide
CID 3022848
2-Hydroxy-3-[2-hydroxyethyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]propane-1-sulfonic acid
CID 138396268
1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N,N-bis(2-hydroxyethyl)hexane-1-sulfonamide
CID 21712976
1,1,2,2-Tetrafluoroethanesulfonate;tetrakis(2-hydroxyethyl)azanium
CID 87096028
1,1,2,2-Tetrafluoroethanesulfonic acid;tetrakis(2-hydroxyethyl)azanium
CID 87096029
4:2 Fluorotelomer sulfonamido propyl hydroxyl amine
CID 88377089
8-fluoro-N,N-bis(2-hydroxyethyl)octane-1-sulfonamide
CID 88682722
2-[Butylsulfonyl(methyl)amino]ethyl trifluoromethanesulfonate
CID 118518224

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide?
The IUPAC name of 4,4,4-trifluoro-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide (CID 83058513) is 4,4,4-trifluoro-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide.
What is the SMILES notation for 4,4,4-trifluoro-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide?
The canonical SMILES for 4,4,4-trifluoro-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide is O=S(=O)(CCCC(F)(F)F)N(CCO)CCO.
What is the InChIKey of 4,4,4-trifluoro-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide?
The InChIKey is GQYCSLDZLBETSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO4S/c9-8(10,11)2-1-7-17(15,16)12(3-5-13)4-6-14/h13-14H,1-7H2.
What are the key properties of 4,4,4-trifluoro-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide?
4,4,4-trifluoro-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide has a molecular weight of 279.28 g/mol, XLogP of -0.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide is sourced from PubChem (CID 83058513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).