N-(2,2-dimethoxyethyl)-4,4,4-trifluorobutane-1-sulfonamide

C8H16F3NO4S — CID 83058506

IUPACN-(2,2-dimethoxyethyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESCOC(CNS(=O)(=O)CCCC(F)(F)F)OC
InChIInChI=1S/C8H16F3NO4S/c1-15-7(16-2)6-12-17(13,14)5-3-4-8(9,10)11/h7,12H,3-6H2,1-2H3
InChIKeyPXYZRICMKYLEDD-UHFFFAOYSA-N
MW279.28 g/mol
LogP0.87
Rot. Bonds8

About N-(2,2-dimethoxyethyl)-4,4,4-trifluorobutane-1-sulfonamide

N-(2,2-dimethoxyethyl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83058506) has the molecular formula C8H16F3NO4S and a molecular weight of 279.28 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83058506
Molecular FormulaC8H16F3NO4S
Molecular Weight279.28 g/mol
Exact Mass279.08
IUPAC NameN-(2,2-dimethoxyethyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESCOC(CNS(=O)(=O)CCCC(F)(F)F)OC
InChIInChI=1S/C8H16F3NO4S/c1-15-7(16-2)6-12-17(13,14)5-3-4-8(9,10)11/h7,12H,3-6H2,1-2H3
InChIKeyPXYZRICMKYLEDD-UHFFFAOYSA-N
XLogP0.87
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-4,4,4-trifluorobutane-1-sulfonamide (CID 83058506) is N-(2,2-dimethoxyethyl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-4,4,4-trifluorobutane-1-sulfonamide is COC(CNS(=O)(=O)CCCC(F)(F)F)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is PXYZRICMKYLEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO4S/c1-15-7(16-2)6-12-17(13,14)5-3-4-8(9,10)11/h7,12H,3-6H2,1-2H3.
What are the key properties of N-(2,2-dimethoxyethyl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(2,2-dimethoxyethyl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 279.28 g/mol, XLogP of 0.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83058506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).