2,2,2-trifluoro-N-methylethanesulfonamide

C3H6F3NO2S — CID 20718422

IUPAC2,2,2-trifluoro-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C3H6F3NO2S/c1-7-10(8,9)2-3(4,5)6/h7H,2H2,1H3
InChIKeyJCODRBMJOUHJAO-UHFFFAOYSA-N
MW177.15 g/mol
LogP0.10
Rot. Bonds2

About 2,2,2-trifluoro-N-methylethanesulfonamide

2,2,2-trifluoro-N-methylethanesulfonamide (PubChem CID 20718422) has the molecular formula C3H6F3NO2S and a molecular weight of 177.15 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methylethanesulfonamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methylethanesulfonamide
PubChem CID20718422
Molecular FormulaC3H6F3NO2S
Molecular Weight177.15 g/mol
Exact Mass177.01
IUPAC Name2,2,2-trifluoro-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C3H6F3NO2S/c1-7-10(8,9)2-3(4,5)6/h7H,2H2,1H3
InChIKeyJCODRBMJOUHJAO-UHFFFAOYSA-N
XLogP0.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.15
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methylethanesulfonamide?
The IUPAC name of 2,2,2-trifluoro-N-methylethanesulfonamide (CID 20718422) is 2,2,2-trifluoro-N-methylethanesulfonamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methylethanesulfonamide?
The canonical SMILES for 2,2,2-trifluoro-N-methylethanesulfonamide is CNS(=O)(=O)CC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methylethanesulfonamide?
The InChIKey is JCODRBMJOUHJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F3NO2S/c1-7-10(8,9)2-3(4,5)6/h7H,2H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-methylethanesulfonamide?
2,2,2-trifluoro-N-methylethanesulfonamide has a molecular weight of 177.15 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methylethanesulfonamide is sourced from PubChem (CID 20718422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).