2-(2,2,2-trifluoroethylsulfonyl)ethylazanium

C4H9F3NO2S+ — CID 140591681

IUPAC2-(2,2,2-trifluoroethylsulfonyl)ethylazanium
SMILES[NH3+]CCS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C4H8F3NO2S/c5-4(6,7)3-11(9,10)2-1-8/h1-3,8H2/p+1
InChIKeyLCAFKXUREMWCMM-UHFFFAOYSA-O
MW192.18 g/mol
LogP-0.79
Rot. Bonds3

About 2-(2,2,2-trifluoroethylsulfonyl)ethylazanium

2-(2,2,2-trifluoroethylsulfonyl)ethylazanium (PubChem CID 140591681) has the molecular formula C4H9F3NO2S+ and a molecular weight of 192.18 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylsulfonyl)ethylazanium.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylsulfonyl)ethylazanium
PubChem CID140591681
Molecular FormulaC4H9F3NO2S+
Molecular Weight192.18 g/mol
Exact Mass192.03
IUPAC Name2-(2,2,2-trifluoroethylsulfonyl)ethylazanium
SMILES[NH3+]CCS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C4H8F3NO2S/c5-4(6,7)3-11(9,10)2-1-8/h1-3,8H2/p+1
InChIKeyLCAFKXUREMWCMM-UHFFFAOYSA-O
XLogP-0.79
TPSA61.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Ethanesulfonyl)ethan-1-amine
CID 21217861
2-Trifluoromethanesulfonylethan-1-amine hydrochloride
CID 88850818
2-(2-Aminoethanesulfonyl)-1,1,1-trifluoroethane hydrochloride
CID 122156693
3-Trifluoromethanesulfonylpropan-1-amine hydrochloride
CID 155822804
2-(2-Aminoethanesulfinyl)-1,1,1-trifluoroethane hydrochloride
CID 122163914
2-Difluoromethanesulfonylethan-1-amine hydrochloride
CID 154832814
3-Difluoromethanesulfonylpropan-1-amine hydrochloride
CID 155821813
3-Amino-2-(trifluoromethyl)thietane 1,1-dioxide
CID 162787540
2-(2-Aminoethanesulfonyl)ethan-1-amine
CID 19026147
N-ethyl-2,2,2-trifluoroethanesulfonamide
CID 20718448
2-amino-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 24691755
N-ethyl-2,2-difluoroethanesulfonamide
CID 54439869

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylsulfonyl)ethylazanium?
The IUPAC name of 2-(2,2,2-trifluoroethylsulfonyl)ethylazanium (CID 140591681) is 2-(2,2,2-trifluoroethylsulfonyl)ethylazanium.
What is the SMILES notation for 2-(2,2,2-trifluoroethylsulfonyl)ethylazanium?
The canonical SMILES for 2-(2,2,2-trifluoroethylsulfonyl)ethylazanium is [NH3+]CCS(=O)(=O)CC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethylsulfonyl)ethylazanium?
The InChIKey is LCAFKXUREMWCMM-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H8F3NO2S/c5-4(6,7)3-11(9,10)2-1-8/h1-3,8H2/p+1.
What are the key properties of 2-(2,2,2-trifluoroethylsulfonyl)ethylazanium?
2-(2,2,2-trifluoroethylsulfonyl)ethylazanium has a molecular weight of 192.18 g/mol, XLogP of -0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylsulfonyl)ethylazanium is sourced from PubChem (CID 140591681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).