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

C4H8F3NO2S — CID 60762994

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

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

N-methyl-N-(2,2,2-trifluoroethyl)methanesulfonamide (PubChem CID 60762994) has the molecular formula C4H8F3NO2S and a molecular weight of 191.17 g/mol. Its IUPAC name is N-methyl-N-(2,2,2-trifluoroethyl)methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(2,2,2-trifluoroethyl)methanesulfonamide
PubChem CID60762994
Molecular FormulaC4H8F3NO2S
Molecular Weight191.17 g/mol
Exact Mass191.02
IUPAC NameN-methyl-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESCN(CC(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C4H8F3NO2S/c1-8(11(2,9)10)3-4(5,6)7/h3H2,1-2H3
InChIKeyFDOKSAKZVSCFQA-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 N-methyl-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)methanesulfonamide (CID 60762994) is N-methyl-N-(2,2,2-trifluoroethyl)methanesulfonamide.
What is the SMILES notation for N-methyl-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The canonical SMILES for N-methyl-N-(2,2,2-trifluoroethyl)methanesulfonamide is CN(CC(F)(F)F)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The InChIKey is FDOKSAKZVSCFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NO2S/c1-8(11(2,9)10)3-4(5,6)7/h3H2,1-2H3.
What are the key properties of N-methyl-N-(2,2,2-trifluoroethyl)methanesulfonamide?
N-methyl-N-(2,2,2-trifluoroethyl)methanesulfonamide 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 N-methyl-N-(2,2,2-trifluoroethyl)methanesulfonamide is sourced from PubChem (CID 60762994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).