N-(2,2,2-trifluoroethyl)methanesulfonamide

C3H6F3NO2S — CID 23025388

IUPACN-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESCS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C3H6F3NO2S/c1-10(8,9)7-2-3(4,5)6/h7H,2H2,1H3
InChIKeyXUXXSWGUMRLLFE-UHFFFAOYSA-N
MW177.15 g/mol
LogP0.10
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)methanesulfonamide

N-(2,2,2-trifluoroethyl)methanesulfonamide (PubChem CID 23025388) has the molecular formula C3H6F3NO2S and a molecular weight of 177.15 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)methanesulfonamide
PubChem CID23025388
Molecular FormulaC3H6F3NO2S
Molecular Weight177.15 g/mol
Exact Mass177.01
IUPAC NameN-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESCS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C3H6F3NO2S/c1-10(8,9)7-2-3(4,5)6/h7H,2H2,1H3
InChIKeyXUXXSWGUMRLLFE-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 N-(2,2,2-trifluoroethyl)methanesulfonamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)methanesulfonamide (CID 23025388) is N-(2,2,2-trifluoroethyl)methanesulfonamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)methanesulfonamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)methanesulfonamide is CS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of N-(2,2,2-trifluoroethyl)methanesulfonamide?
The InChIKey is XUXXSWGUMRLLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F3NO2S/c1-10(8,9)7-2-3(4,5)6/h7H,2H2,1H3.
What are the key properties of N-(2,2,2-trifluoroethyl)methanesulfonamide?
N-(2,2,2-trifluoroethyl)methanesulfonamide 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 N-(2,2,2-trifluoroethyl)methanesulfonamide is sourced from PubChem (CID 23025388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).