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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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).