2,2,2-trifluoro-N,N-dimethyl-1-methylsulfonylethanamine

C5H10F3NO2S — CID 88991106

IUPAC2,2,2-trifluoro-N,N-dimethyl-1-methylsulfonylethanamine
SMILESCN(C)C(C(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C5H10F3NO2S/c1-9(2)4(5(6,7)8)12(3,10)11/h4H,1-3H3
InChIKeyYZUKMBLPKQDMPY-UHFFFAOYSA-N
MW205.20 g/mol
LogP0.48
Rot. Bonds2

About 2,2,2-trifluoro-N,N-dimethyl-1-methylsulfonylethanamine

2,2,2-trifluoro-N,N-dimethyl-1-methylsulfonylethanamine (PubChem CID 88991106) has the molecular formula C5H10F3NO2S and a molecular weight of 205.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N,N-dimethyl-1-methylsulfonylethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N,N-dimethyl-1-methylsulfonylethanamine
PubChem CID88991106
Molecular FormulaC5H10F3NO2S
Molecular Weight205.20 g/mol
Exact Mass205.04
IUPAC Name2,2,2-trifluoro-N,N-dimethyl-1-methylsulfonylethanamine
SMILESCN(C)C(C(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C5H10F3NO2S/c1-9(2)4(5(6,7)8)12(3,10)11/h4H,1-3H3
InChIKeyYZUKMBLPKQDMPY-UHFFFAOYSA-N
XLogP0.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl-dipropyl-[1-(trifluoromethylsulfonyl)ethyl]azanium
CID 172682362
Dimethyl-propyl-(2,2,2-trifluoro-1-methylsulfonylethyl)azanium
CID 172863826
N-(ethylsulfonylmethyl)-2,2,2-trifluoroethanamine
CID 83986198
3-Methyl-2-(trifluoromethyl)-1,3-thiazolidine 1,1-dioxide
CID 162597237
N,N-Diethyl-2-[(trifluoromethyl)sulfonyl]ethanamine
CID 165346498
N-ethyl-N-methyl-1-methylsulfonylethanamine
CID 173033603

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N,N-dimethyl-1-methylsulfonylethanamine?
The IUPAC name of 2,2,2-trifluoro-N,N-dimethyl-1-methylsulfonylethanamine (CID 88991106) is 2,2,2-trifluoro-N,N-dimethyl-1-methylsulfonylethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N,N-dimethyl-1-methylsulfonylethanamine?
The canonical SMILES for 2,2,2-trifluoro-N,N-dimethyl-1-methylsulfonylethanamine is CN(C)C(C(F)(F)F)S(C)(=O)=O.
What is the InChIKey of 2,2,2-trifluoro-N,N-dimethyl-1-methylsulfonylethanamine?
The InChIKey is YZUKMBLPKQDMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO2S/c1-9(2)4(5(6,7)8)12(3,10)11/h4H,1-3H3.
What are the key properties of 2,2,2-trifluoro-N,N-dimethyl-1-methylsulfonylethanamine?
2,2,2-trifluoro-N,N-dimethyl-1-methylsulfonylethanamine has a molecular weight of 205.20 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N,N-dimethyl-1-methylsulfonylethanamine is sourced from PubChem (CID 88991106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).