3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-enamide

C9H14F3NO3 — CID 136551158

IUPAC3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-enamide
SMILESCCOC=CC(=O)NCCOCC(F)(F)F
InChIInChI=1S/C9H14F3NO3/c1-2-15-5-3-8(14)13-4-6-16-7-9(10,11)12/h3,5H,2,4,6-7H2,1H3,(H,13,14)
InChIKeyWZZUGDQXEGZTHO-UHFFFAOYSA-N
MW241.21 g/mol
LogP1.23
Rot. Bonds7

About 3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-enamide

3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-enamide (PubChem CID 136551158) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-enamide.

Molecular Properties

Compound Name3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-enamide
PubChem CID136551158
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-enamide
SMILESCCOC=CC(=O)NCCOCC(F)(F)F
InChIInChI=1S/C9H14F3NO3/c1-2-15-5-3-8(14)13-4-6-16-7-9(10,11)12/h3,5H,2,4,6-7H2,1H3,(H,13,14)
InChIKeyWZZUGDQXEGZTHO-UHFFFAOYSA-N
XLogP1.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-enamide?
The IUPAC name of 3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-enamide (CID 136551158) is 3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-enamide.
What is the SMILES notation for 3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-enamide?
The canonical SMILES for 3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-enamide is CCOC=CC(=O)NCCOCC(F)(F)F.
What is the InChIKey of 3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-enamide?
The InChIKey is WZZUGDQXEGZTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c1-2-15-5-3-8(14)13-4-6-16-7-9(10,11)12/h3,5H,2,4,6-7H2,1H3,(H,13,14).
What are the key properties of 3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-enamide?
3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-enamide has a molecular weight of 241.21 g/mol, XLogP of 1.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-enamide is sourced from PubChem (CID 136551158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).