2,2,2-trifluoro-N-(2-methylsulfonylethyl)ethanamine

C5H10F3NO2S — CID 60916716

IUPAC2,2,2-trifluoro-N-(2-methylsulfonylethyl)ethanamine
SMILESCS(=O)(=O)CCNCC(F)(F)F
InChIInChI=1S/C5H10F3NO2S/c1-12(10,11)3-2-9-4-5(6,7)8/h9H,2-4H2,1H3
InChIKeyDRVSQBGQZNKEIO-UHFFFAOYSA-N
MW205.20 g/mol
LogP0.18
Rot. Bonds4

About 2,2,2-trifluoro-N-(2-methylsulfonylethyl)ethanamine

2,2,2-trifluoro-N-(2-methylsulfonylethyl)ethanamine (PubChem CID 60916716) has the molecular formula C5H10F3NO2S and a molecular weight of 205.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-methylsulfonylethyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-methylsulfonylethyl)ethanamine
PubChem CID60916716
Molecular FormulaC5H10F3NO2S
Molecular Weight205.20 g/mol
Exact Mass205.04
IUPAC Name2,2,2-trifluoro-N-(2-methylsulfonylethyl)ethanamine
SMILESCS(=O)(=O)CCNCC(F)(F)F
InChIInChI=1S/C5H10F3NO2S/c1-12(10,11)3-2-9-4-5(6,7)8/h9H,2-4H2,1H3
InChIKeyDRVSQBGQZNKEIO-UHFFFAOYSA-N
XLogP0.18
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 ≤ 50.18
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
N-ethyl-2-(trifluoromethylsulfonyl)ethanamine
CID 155411070
Diethylazanium;1,1,2,2-tetrafluoroethanesulfonate
CID 156741697

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-methylsulfonylethyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-(2-methylsulfonylethyl)ethanamine (CID 60916716) is 2,2,2-trifluoro-N-(2-methylsulfonylethyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-methylsulfonylethyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-(2-methylsulfonylethyl)ethanamine is CS(=O)(=O)CCNCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-methylsulfonylethyl)ethanamine?
The InChIKey is DRVSQBGQZNKEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO2S/c1-12(10,11)3-2-9-4-5(6,7)8/h9H,2-4H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-(2-methylsulfonylethyl)ethanamine?
2,2,2-trifluoro-N-(2-methylsulfonylethyl)ethanamine has a molecular weight of 205.20 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-methylsulfonylethyl)ethanamine is sourced from PubChem (CID 60916716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).