ethyl 4-oxo-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butanoate

C10H16F3NO4 — CID 60730502

IUPACethyl 4-oxo-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butanoate
SMILESCCOC(=O)CCC(=O)NCCOCC(F)(F)F
InChIInChI=1S/C10H16F3NO4/c1-2-18-9(16)4-3-8(15)14-5-6-17-7-10(11,12)13/h2-7H2,1H3,(H,14,15)
InChIKeyUBNGFGUIQVCKIE-UHFFFAOYSA-N
MW271.23 g/mol
LogP1.02
Rot. Bonds8

About ethyl 4-oxo-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butanoate

ethyl 4-oxo-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butanoate (PubChem CID 60730502) has the molecular formula C10H16F3NO4 and a molecular weight of 271.23 g/mol. Its IUPAC name is ethyl 4-oxo-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butanoate.

Molecular Properties

Compound Nameethyl 4-oxo-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butanoate
PubChem CID60730502
Molecular FormulaC10H16F3NO4
Molecular Weight271.23 g/mol
Exact Mass271.10
IUPAC Nameethyl 4-oxo-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butanoate
SMILESCCOC(=O)CCC(=O)NCCOCC(F)(F)F
InChIInChI=1S/C10H16F3NO4/c1-2-18-9(16)4-3-8(15)14-5-6-17-7-10(11,12)13/h2-7H2,1H3,(H,14,15)
InChIKeyUBNGFGUIQVCKIE-UHFFFAOYSA-N
XLogP1.02
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
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 ethyl 4-oxo-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butanoate?
The IUPAC name of ethyl 4-oxo-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butanoate (CID 60730502) is ethyl 4-oxo-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butanoate.
What is the SMILES notation for ethyl 4-oxo-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butanoate?
The canonical SMILES for ethyl 4-oxo-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butanoate is CCOC(=O)CCC(=O)NCCOCC(F)(F)F.
What is the InChIKey of ethyl 4-oxo-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butanoate?
The InChIKey is UBNGFGUIQVCKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO4/c1-2-18-9(16)4-3-8(15)14-5-6-17-7-10(11,12)13/h2-7H2,1H3,(H,14,15).
What are the key properties of ethyl 4-oxo-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butanoate?
ethyl 4-oxo-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butanoate has a molecular weight of 271.23 g/mol, XLogP of 1.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butanoate is sourced from PubChem (CID 60730502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).