N-ethyl-2-(trifluoromethylsulfonyl)ethanamine

C5H10F3NO2S — CID 155411070

IUPACN-ethyl-2-(trifluoromethylsulfonyl)ethanamine
SMILESCCNCCS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H10F3NO2S/c1-2-9-3-4-12(10,11)5(6,7)8/h9H,2-4H2,1H3
InChIKeyPSOHDXYJDAHSJQ-UHFFFAOYSA-N
MW205.20 g/mol
LogP0.53
Rot. Bonds4

About N-ethyl-2-(trifluoromethylsulfonyl)ethanamine

N-ethyl-2-(trifluoromethylsulfonyl)ethanamine (PubChem CID 155411070) has the molecular formula C5H10F3NO2S and a molecular weight of 205.20 g/mol. Its IUPAC name is N-ethyl-2-(trifluoromethylsulfonyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(trifluoromethylsulfonyl)ethanamine
PubChem CID155411070
Molecular FormulaC5H10F3NO2S
Molecular Weight205.20 g/mol
Exact Mass205.04
IUPAC NameN-ethyl-2-(trifluoromethylsulfonyl)ethanamine
SMILESCCNCCS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H10F3NO2S/c1-2-9-3-4-12(10,11)5(6,7)8/h9H,2-4H2,1H3
InChIKeyPSOHDXYJDAHSJQ-UHFFFAOYSA-N
XLogP0.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2-Methanesulfonylethyl)(methyl)amine
CID 3856040
2-(ethylsulfonyl)-N-methylethanamine
CID 14677075
2-(2,2-Difluoroethylsulfonyl)ethanamine
CID 58684575
2-(2-Aminoethanesulfonyl)-1,1,1-trifluoroethane
CID 58685127
2-fluoro-N-(2-methylsulfonylethyl)ethanamine
CID 79006887
N-Ethyl-3-[(3,3,3-trifluoropropyl)sulphonyl]propane-1-amine
CID 86696811
N-methyl-3-[(3,3,3-trifluoropropyl)sulphonyl]propane-1-amine
CID 86696859
N-propyl-3-(3,3,3-trifluoropropylsulfonyl)propan-1-amine
CID 88547157
2-(2,2,2-Trifluoroethylsulfonyl)ethylazanium
CID 140591681
CID 155411068
CID 155411068
Diethylazanium;1,1,2,2-tetrafluoroethanesulfonate
CID 156741697
N-propan-2-yl-3-(trifluoromethylsulfonyl)propan-1-amine
CID 160406280

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(trifluoromethylsulfonyl)ethanamine?
The IUPAC name of N-ethyl-2-(trifluoromethylsulfonyl)ethanamine (CID 155411070) is N-ethyl-2-(trifluoromethylsulfonyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(trifluoromethylsulfonyl)ethanamine?
The canonical SMILES for N-ethyl-2-(trifluoromethylsulfonyl)ethanamine is CCNCCS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-ethyl-2-(trifluoromethylsulfonyl)ethanamine?
The InChIKey is PSOHDXYJDAHSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO2S/c1-2-9-3-4-12(10,11)5(6,7)8/h9H,2-4H2,1H3.
What are the key properties of N-ethyl-2-(trifluoromethylsulfonyl)ethanamine?
N-ethyl-2-(trifluoromethylsulfonyl)ethanamine has a molecular weight of 205.20 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(trifluoromethylsulfonyl)ethanamine is sourced from PubChem (CID 155411070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).