N,N-dimethyl-2-(trifluoromethylsulfonyl)ethenamine

C5H8F3NO2S — CID 71392118

IUPACN,N-dimethyl-2-(trifluoromethylsulfonyl)ethenamine
SMILESCN(C)C=CS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H8F3NO2S/c1-9(2)3-4-12(10,11)5(6,7)8/h3-4H,1-2H3
InChIKeyBOUQJSQKJJBKEQ-UHFFFAOYSA-N
MW203.19 g/mol
LogP0.95
Rot. Bonds2

About N,N-dimethyl-2-(trifluoromethylsulfonyl)ethenamine

N,N-dimethyl-2-(trifluoromethylsulfonyl)ethenamine (PubChem CID 71392118) has the molecular formula C5H8F3NO2S and a molecular weight of 203.19 g/mol. Its IUPAC name is N,N-dimethyl-2-(trifluoromethylsulfonyl)ethenamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(trifluoromethylsulfonyl)ethenamine
PubChem CID71392118
Molecular FormulaC5H8F3NO2S
Molecular Weight203.19 g/mol
Exact Mass203.02
IUPAC NameN,N-dimethyl-2-(trifluoromethylsulfonyl)ethenamine
SMILESCN(C)C=CS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H8F3NO2S/c1-9(2)3-4-12(10,11)5(6,7)8/h3-4H,1-2H3
InChIKeyBOUQJSQKJJBKEQ-UHFFFAOYSA-N
XLogP0.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(trifluoromethylsulfonyl)ethenamine?
The IUPAC name of N,N-dimethyl-2-(trifluoromethylsulfonyl)ethenamine (CID 71392118) is N,N-dimethyl-2-(trifluoromethylsulfonyl)ethenamine.
What is the SMILES notation for N,N-dimethyl-2-(trifluoromethylsulfonyl)ethenamine?
The canonical SMILES for N,N-dimethyl-2-(trifluoromethylsulfonyl)ethenamine is CN(C)C=CS(=O)(=O)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-2-(trifluoromethylsulfonyl)ethenamine?
The InChIKey is BOUQJSQKJJBKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2S/c1-9(2)3-4-12(10,11)5(6,7)8/h3-4H,1-2H3.
What are the key properties of N,N-dimethyl-2-(trifluoromethylsulfonyl)ethenamine?
N,N-dimethyl-2-(trifluoromethylsulfonyl)ethenamine has a molecular weight of 203.19 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(trifluoromethylsulfonyl)ethenamine is sourced from PubChem (CID 71392118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).