N,N,2,2-tetramethylpropanamide;trifluoromethanesulfonic acid

C8H16F3NO4S — CID 158997566

IUPACN,N,2,2-tetramethylpropanamide;trifluoromethanesulfonic acid
SMILESCN(C)C(=O)C(C)(C)C.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C7H15NO.CHF3O3S/c1-7(2,3)6(9)8(4)5;2-1(3,4)8(5,6)7/h1-5H3;(H,5,6,7)
InChIKeyJQXTZZKRQRAFDK-UHFFFAOYSA-N
MW279.28 g/mol
LogP1.51
Rot. Bonds

About N,N,2,2-tetramethylpropanamide;trifluoromethanesulfonic acid

N,N,2,2-tetramethylpropanamide;trifluoromethanesulfonic acid (PubChem CID 158997566) has the molecular formula C8H16F3NO4S and a molecular weight of 279.28 g/mol. Its IUPAC name is N,N,2,2-tetramethylpropanamide;trifluoromethanesulfonic acid.

Molecular Properties

Compound NameN,N,2,2-tetramethylpropanamide;trifluoromethanesulfonic acid
PubChem CID158997566
Molecular FormulaC8H16F3NO4S
Molecular Weight279.28 g/mol
Exact Mass279.08
IUPAC NameN,N,2,2-tetramethylpropanamide;trifluoromethanesulfonic acid
SMILESCN(C)C(=O)C(C)(C)C.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C7H15NO.CHF3O3S/c1-7(2,3)6(9)8(4)5;2-1(3,4)8(5,6)7/h1-5H3;(H,5,6,7)
InChIKeyJQXTZZKRQRAFDK-UHFFFAOYSA-N
XLogP1.51
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethylmethanamine;silicic acid;trifluoromethanesulfonic acid
CID 174409588
N,2,2-trimethyl-N-(trideuteriomethyl)propanamide
CID 157366464
2-(dimethylsulfamoyl)-2,2-difluoro-N,N-dimethylacetamide
CID 121234956
methanethiol;trifluoromethanesulfonic acid
CID 171923949
iodomethane;trifluoromethanesulfonic acid
CID 87959782
trifluoromethanesulfonic acid;hydrofluoride
CID 87139590
platinum;trifluoromethanesulfonic acid
CID 87655055
osmium;bis(trifluoromethanesulfonic acid)
CID 174919112
trifluoromethanesulfonic acid;zinc
CID 45051803
bis(trifluoromethanesulfonic acid);ytterbium
CID 72641674
CID 160972181
CID 160972181
CID 86627681
CID 86627681

Frequently Asked Questions

What is the IUPAC name of N,N,2,2-tetramethylpropanamide;trifluoromethanesulfonic acid?
The IUPAC name of N,N,2,2-tetramethylpropanamide;trifluoromethanesulfonic acid (CID 158997566) is N,N,2,2-tetramethylpropanamide;trifluoromethanesulfonic acid.
What is the SMILES notation for N,N,2,2-tetramethylpropanamide;trifluoromethanesulfonic acid?
The canonical SMILES for N,N,2,2-tetramethylpropanamide;trifluoromethanesulfonic acid is CN(C)C(=O)C(C)(C)C.O=S(=O)(O)C(F)(F)F.
What is the InChIKey of N,N,2,2-tetramethylpropanamide;trifluoromethanesulfonic acid?
The InChIKey is JQXTZZKRQRAFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.CHF3O3S/c1-7(2,3)6(9)8(4)5;2-1(3,4)8(5,6)7/h1-5H3;(H,5,6,7).
What are the key properties of N,N,2,2-tetramethylpropanamide;trifluoromethanesulfonic acid?
N,N,2,2-tetramethylpropanamide;trifluoromethanesulfonic acid has a molecular weight of 279.28 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,2-tetramethylpropanamide;trifluoromethanesulfonic acid is sourced from PubChem (CID 158997566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).