2-but-3-enoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine

C10H18F3NO2 — CID 106401382

IUPAC2-but-3-enoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESC=CCCOCCNCCOCC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-2-3-6-15-7-4-14-5-8-16-9-10(11,12)13/h2,14H,1,3-9H2
InChIKeyXSRZEPNLJWREQC-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.75
Rot. Bonds10

About 2-but-3-enoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine

2-but-3-enoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (PubChem CID 106401382) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-but-3-enoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2-but-3-enoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
PubChem CID106401382
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name2-but-3-enoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESC=CCCOCCNCCOCC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-2-3-6-15-7-4-14-5-8-16-9-10(11,12)13/h2,14H,1,3-9H2
InChIKeyXSRZEPNLJWREQC-UHFFFAOYSA-N
XLogP1.75
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-but-3-enoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The IUPAC name of 2-but-3-enoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (CID 106401382) is 2-but-3-enoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.
What is the SMILES notation for 2-but-3-enoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The canonical SMILES for 2-but-3-enoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is C=CCCOCCNCCOCC(F)(F)F.
What is the InChIKey of 2-but-3-enoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The InChIKey is XSRZEPNLJWREQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-2-3-6-15-7-4-14-5-8-16-9-10(11,12)13/h2,14H,1,3-9H2.
What are the key properties of 2-but-3-enoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
2-but-3-enoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine has a molecular weight of 241.25 g/mol, XLogP of 1.75, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is sourced from PubChem (CID 106401382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).