N-ethyl-1,1,1-trifluoro-N-methylmethanesulfonamide

C4H8F3NO2S — CID 88576394

IUPACN-ethyl-1,1,1-trifluoro-N-methylmethanesulfonamide
SMILESCCN(C)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H8F3NO2S/c1-3-8(2)11(9,10)4(5,6)7/h3H2,1-2H3
InChIKeyXGOZXWSUGWDOOI-UHFFFAOYSA-N
MW191.17 g/mol
LogP0.79
Rot. Bonds2

About N-ethyl-1,1,1-trifluoro-N-methylmethanesulfonamide

N-ethyl-1,1,1-trifluoro-N-methylmethanesulfonamide (PubChem CID 88576394) has the molecular formula C4H8F3NO2S and a molecular weight of 191.17 g/mol. Its IUPAC name is N-ethyl-1,1,1-trifluoro-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-1,1,1-trifluoro-N-methylmethanesulfonamide
PubChem CID88576394
Molecular FormulaC4H8F3NO2S
Molecular Weight191.17 g/mol
Exact Mass191.02
IUPAC NameN-ethyl-1,1,1-trifluoro-N-methylmethanesulfonamide
SMILESCCN(C)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H8F3NO2S/c1-3-8(2)11(9,10)4(5,6)7/h3H2,1-2H3
InChIKeyXGOZXWSUGWDOOI-UHFFFAOYSA-N
XLogP0.79
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 ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1,1-trifluoro-N-methylmethanesulfonamide?
The IUPAC name of N-ethyl-1,1,1-trifluoro-N-methylmethanesulfonamide (CID 88576394) is N-ethyl-1,1,1-trifluoro-N-methylmethanesulfonamide.
What is the SMILES notation for N-ethyl-1,1,1-trifluoro-N-methylmethanesulfonamide?
The canonical SMILES for N-ethyl-1,1,1-trifluoro-N-methylmethanesulfonamide is CCN(C)S(=O)(=O)C(F)(F)F.
What is the InChIKey of N-ethyl-1,1,1-trifluoro-N-methylmethanesulfonamide?
The InChIKey is XGOZXWSUGWDOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NO2S/c1-3-8(2)11(9,10)4(5,6)7/h3H2,1-2H3.
What are the key properties of N-ethyl-1,1,1-trifluoro-N-methylmethanesulfonamide?
N-ethyl-1,1,1-trifluoro-N-methylmethanesulfonamide has a molecular weight of 191.17 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1,1-trifluoro-N-methylmethanesulfonamide is sourced from PubChem (CID 88576394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).