N-[2-(2-aminoethoxy)ethyl]-2,2,2-trifluoroacetamide

C6H11F3N2O2 — CID 82354257

IUPACN-[2-(2-aminoethoxy)ethyl]-2,2,2-trifluoroacetamide
SMILESNCCOCCNC(=O)C(F)(F)F
InChIInChI=1S/C6H11F3N2O2/c7-6(8,9)5(12)11-2-4-13-3-1-10/h1-4,10H2,(H,11,12)
InChIKeyKSTRFNWGZNWOPF-UHFFFAOYSA-N
MW200.16 g/mol
LogP-0.36
Rot. Bonds5

About N-[2-(2-aminoethoxy)ethyl]-2,2,2-trifluoroacetamide

N-[2-(2-aminoethoxy)ethyl]-2,2,2-trifluoroacetamide (PubChem CID 82354257) has the molecular formula C6H11F3N2O2 and a molecular weight of 200.16 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]-2,2,2-trifluoroacetamide
PubChem CID82354257
Molecular FormulaC6H11F3N2O2
Molecular Weight200.16 g/mol
Exact Mass200.08
IUPAC NameN-[2-(2-aminoethoxy)ethyl]-2,2,2-trifluoroacetamide
SMILESNCCOCCNC(=O)C(F)(F)F
InChIInChI=1S/C6H11F3N2O2/c7-6(8,9)5(12)11-2-4-13-3-1-10/h1-4,10H2,(H,11,12)
InChIKeyKSTRFNWGZNWOPF-UHFFFAOYSA-N
XLogP-0.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 5-0.36
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 N-[2-(2-aminoethoxy)ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]-2,2,2-trifluoroacetamide (CID 82354257) is N-[2-(2-aminoethoxy)ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]-2,2,2-trifluoroacetamide is NCCOCCNC(=O)C(F)(F)F.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is KSTRFNWGZNWOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O2/c7-6(8,9)5(12)11-2-4-13-3-1-10/h1-4,10H2,(H,11,12).
What are the key properties of N-[2-(2-aminoethoxy)ethyl]-2,2,2-trifluoroacetamide?
N-[2-(2-aminoethoxy)ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 200.16 g/mol, XLogP of -0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 82354257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).