2-(2-methoxyethoxy)-N-(trifluoromethylsulfanyl)ethanamine

C6H12F3NO2S — CID 129294913

IUPAC2-(2-methoxyethoxy)-N-(trifluoromethylsulfanyl)ethanamine
SMILESCOCCOCCNSC(F)(F)F
InChIInChI=1S/C6H12F3NO2S/c1-11-4-5-12-3-2-10-13-6(7,8)9/h10H,2-5H2,1H3
InChIKeyNYTHBNUVNIULTI-UHFFFAOYSA-N
MW219.23 g/mol
LogP1.41
Rot. Bonds7

About 2-(2-methoxyethoxy)-N-(trifluoromethylsulfanyl)ethanamine

2-(2-methoxyethoxy)-N-(trifluoromethylsulfanyl)ethanamine (PubChem CID 129294913) has the molecular formula C6H12F3NO2S and a molecular weight of 219.23 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-(trifluoromethylsulfanyl)ethanamine.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-(trifluoromethylsulfanyl)ethanamine
PubChem CID129294913
Molecular FormulaC6H12F3NO2S
Molecular Weight219.23 g/mol
Exact Mass219.05
IUPAC Name2-(2-methoxyethoxy)-N-(trifluoromethylsulfanyl)ethanamine
SMILESCOCCOCCNSC(F)(F)F
InChIInChI=1S/C6H12F3NO2S/c1-11-4-5-12-3-2-10-13-6(7,8)9/h10H,2-5H2,1H3
InChIKeyNYTHBNUVNIULTI-UHFFFAOYSA-N
XLogP1.41
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-N-(trifluoromethylsulfanyl)ethanamine?
The IUPAC name of 2-(2-methoxyethoxy)-N-(trifluoromethylsulfanyl)ethanamine (CID 129294913) is 2-(2-methoxyethoxy)-N-(trifluoromethylsulfanyl)ethanamine.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-(trifluoromethylsulfanyl)ethanamine?
The canonical SMILES for 2-(2-methoxyethoxy)-N-(trifluoromethylsulfanyl)ethanamine is COCCOCCNSC(F)(F)F.
What is the InChIKey of 2-(2-methoxyethoxy)-N-(trifluoromethylsulfanyl)ethanamine?
The InChIKey is NYTHBNUVNIULTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO2S/c1-11-4-5-12-3-2-10-13-6(7,8)9/h10H,2-5H2,1H3.
What are the key properties of 2-(2-methoxyethoxy)-N-(trifluoromethylsulfanyl)ethanamine?
2-(2-methoxyethoxy)-N-(trifluoromethylsulfanyl)ethanamine has a molecular weight of 219.23 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-(trifluoromethylsulfanyl)ethanamine is sourced from PubChem (CID 129294913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).