2,2,2-trifluoro-N,N-dimethylethanesulfonamide

C4H8F3NO2S — CID 57183308

IUPAC2,2,2-trifluoro-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CC(F)(F)F
InChIInChI=1S/C4H8F3NO2S/c1-8(2)11(9,10)3-4(5,6)7/h3H2,1-2H3
InChIKeyNDTAPOGWOAGGIF-UHFFFAOYSA-N
MW191.17 g/mol
LogP0.44
Rot. Bonds2

About 2,2,2-trifluoro-N,N-dimethylethanesulfonamide

2,2,2-trifluoro-N,N-dimethylethanesulfonamide (PubChem CID 57183308) has the molecular formula C4H8F3NO2S and a molecular weight of 191.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N,N-dimethylethanesulfonamide
PubChem CID57183308
Molecular FormulaC4H8F3NO2S
Molecular Weight191.17 g/mol
Exact Mass191.02
IUPAC Name2,2,2-trifluoro-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CC(F)(F)F
InChIInChI=1S/C4H8F3NO2S/c1-8(2)11(9,10)3-4(5,6)7/h3H2,1-2H3
InChIKeyNDTAPOGWOAGGIF-UHFFFAOYSA-N
XLogP0.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.17
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N,N-dimethylethanesulfonamide?
The IUPAC name of 2,2,2-trifluoro-N,N-dimethylethanesulfonamide (CID 57183308) is 2,2,2-trifluoro-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2,2,2-trifluoro-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2,2,2-trifluoro-N,N-dimethylethanesulfonamide is CN(C)S(=O)(=O)CC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N,N-dimethylethanesulfonamide?
The InChIKey is NDTAPOGWOAGGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NO2S/c1-8(2)11(9,10)3-4(5,6)7/h3H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N,N-dimethylethanesulfonamide?
2,2,2-trifluoro-N,N-dimethylethanesulfonamide has a molecular weight of 191.17 g/mol, XLogP of 0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 57183308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).