ethyl 2-[prop-2-enyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetate

C11H16F3NO4 — CID 113227725

IUPACethyl 2-[prop-2-enyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetate
SMILESC=CCN(CC(=O)OCC)C(=O)COCC(F)(F)F
InChIInChI=1S/C11H16F3NO4/c1-3-5-15(6-10(17)19-4-2)9(16)7-18-8-11(12,13)14/h3H,1,4-8H2,2H3
InChIKeySCMMZCHPHOLAHV-UHFFFAOYSA-N
MW283.25 g/mol
LogP1.14
Rot. Bonds8

About ethyl 2-[prop-2-enyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetate

ethyl 2-[prop-2-enyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetate (PubChem CID 113227725) has the molecular formula C11H16F3NO4 and a molecular weight of 283.25 g/mol. Its IUPAC name is ethyl 2-[prop-2-enyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[prop-2-enyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetate
PubChem CID113227725
Molecular FormulaC11H16F3NO4
Molecular Weight283.25 g/mol
Exact Mass283.10
IUPAC Nameethyl 2-[prop-2-enyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetate
SMILESC=CCN(CC(=O)OCC)C(=O)COCC(F)(F)F
InChIInChI=1S/C11H16F3NO4/c1-3-5-15(6-10(17)19-4-2)9(16)7-18-8-11(12,13)14/h3H,1,4-8H2,2H3
InChIKeySCMMZCHPHOLAHV-UHFFFAOYSA-N
XLogP1.14
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[prop-2-enyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetate?
The IUPAC name of ethyl 2-[prop-2-enyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetate (CID 113227725) is ethyl 2-[prop-2-enyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[prop-2-enyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[prop-2-enyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetate is C=CCN(CC(=O)OCC)C(=O)COCC(F)(F)F.
What is the InChIKey of ethyl 2-[prop-2-enyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetate?
The InChIKey is SCMMZCHPHOLAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO4/c1-3-5-15(6-10(17)19-4-2)9(16)7-18-8-11(12,13)14/h3H,1,4-8H2,2H3.
What are the key properties of ethyl 2-[prop-2-enyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetate?
ethyl 2-[prop-2-enyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetate has a molecular weight of 283.25 g/mol, XLogP of 1.14, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[prop-2-enyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetate is sourced from PubChem (CID 113227725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).