2-(2-aminoethoxy)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide

C7H13F3N2O2S — CID 103809171

IUPAC2-(2-aminoethoxy)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide
SMILESNCCOCC(=O)NCCSC(F)(F)F
InChIInChI=1S/C7H13F3N2O2S/c8-7(9,10)15-4-2-12-6(13)5-14-3-1-11/h1-5,11H2,(H,12,13)
InChIKeyGJQLHKALRLEFFM-UHFFFAOYSA-N
MW246.25 g/mol
LogP0.33
Rot. Bonds7

About 2-(2-aminoethoxy)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide

2-(2-aminoethoxy)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide (PubChem CID 103809171) has the molecular formula C7H13F3N2O2S and a molecular weight of 246.25 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide
PubChem CID103809171
Molecular FormulaC7H13F3N2O2S
Molecular Weight246.25 g/mol
Exact Mass246.06
IUPAC Name2-(2-aminoethoxy)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide
SMILESNCCOCC(=O)NCCSC(F)(F)F
InChIInChI=1S/C7H13F3N2O2S/c8-7(9,10)15-4-2-12-6(13)5-14-3-1-11/h1-5,11H2,(H,12,13)
InChIKeyGJQLHKALRLEFFM-UHFFFAOYSA-N
XLogP0.33
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-aminoethoxy)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide (CID 103809171) is 2-(2-aminoethoxy)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide is NCCOCC(=O)NCCSC(F)(F)F.
What is the InChIKey of 2-(2-aminoethoxy)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide?
The InChIKey is GJQLHKALRLEFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O2S/c8-7(9,10)15-4-2-12-6(13)5-14-3-1-11/h1-5,11H2,(H,12,13).
What are the key properties of 2-(2-aminoethoxy)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide?
2-(2-aminoethoxy)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide has a molecular weight of 246.25 g/mol, XLogP of 0.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide is sourced from PubChem (CID 103809171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).