2,2,2-trifluoro-N-(2-thiomorpholin-3-ylethyl)ethanamine

C8H15F3N2S — CID 66422525

IUPAC2,2,2-trifluoro-N-(2-thiomorpholin-3-ylethyl)ethanamine
SMILESFC(F)(F)CNCCC1CSCCN1
InChIInChI=1S/C8H15F3N2S/c9-8(10,11)6-12-2-1-7-5-14-4-3-13-7/h7,12-13H,1-6H2
InChIKeySSQPICINFJKWFE-UHFFFAOYSA-N
MW228.28 g/mol
LogP1.23
Rot. Bonds4

About 2,2,2-trifluoro-N-(2-thiomorpholin-3-ylethyl)ethanamine

2,2,2-trifluoro-N-(2-thiomorpholin-3-ylethyl)ethanamine (PubChem CID 66422525) has the molecular formula C8H15F3N2S and a molecular weight of 228.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-thiomorpholin-3-ylethyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-thiomorpholin-3-ylethyl)ethanamine
PubChem CID66422525
Molecular FormulaC8H15F3N2S
Molecular Weight228.28 g/mol
Exact Mass228.09
IUPAC Name2,2,2-trifluoro-N-(2-thiomorpholin-3-ylethyl)ethanamine
SMILESFC(F)(F)CNCCC1CSCCN1
InChIInChI=1S/C8H15F3N2S/c9-8(10,11)6-12-2-1-7-5-14-4-3-13-7/h7,12-13H,1-6H2
InChIKeySSQPICINFJKWFE-UHFFFAOYSA-N
XLogP1.23
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(Trifluoromethyl)thiomorpholine
CID 60751553
4-Amino-6-(trifluoromethylsulfanyl)piperidine-3-thiol
CID 176942628
N-(2,2,2-trifluoroethyl)thian-4-amine
CID 43394882
4,4,4-Trifluoro-3-thiomorpholin-4-ylbutan-1-amine
CID 43753140
4,4,4-Trifluoro-3-(1-oxo-1,4-thiazinan-4-yl)butan-1-amine
CID 61555056
N-(2,2,2-trifluoroethyl)thian-3-amine
CID 62872682
N-(3,3,3-trifluoropropyl)thian-4-amine
CID 63225937
N-(3,3,3-trifluoropropyl)thian-3-amine
CID 63226422
N-(2-methylsulfanylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63980758
N-(3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63983391
2-(3-methylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 64052633
3-Methyl-5-(trifluoromethyl)thiomorpholine
CID 66220145

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-thiomorpholin-3-ylethyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-(2-thiomorpholin-3-ylethyl)ethanamine (CID 66422525) is 2,2,2-trifluoro-N-(2-thiomorpholin-3-ylethyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-thiomorpholin-3-ylethyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-(2-thiomorpholin-3-ylethyl)ethanamine is FC(F)(F)CNCCC1CSCCN1.
What is the InChIKey of 2,2,2-trifluoro-N-(2-thiomorpholin-3-ylethyl)ethanamine?
The InChIKey is SSQPICINFJKWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2S/c9-8(10,11)6-12-2-1-7-5-14-4-3-13-7/h7,12-13H,1-6H2.
What are the key properties of 2,2,2-trifluoro-N-(2-thiomorpholin-3-ylethyl)ethanamine?
2,2,2-trifluoro-N-(2-thiomorpholin-3-ylethyl)ethanamine has a molecular weight of 228.28 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-thiomorpholin-3-ylethyl)ethanamine is sourced from PubChem (CID 66422525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).