ethyl 2-(5-methyloxolan-2-yl)-2-(2,2,2-trifluoroethylamino)acetate

C11H18F3NO3 — CID 82837721

IUPACethyl 2-(5-methyloxolan-2-yl)-2-(2,2,2-trifluoroethylamino)acetate
SMILESCCOC(=O)C(NCC(F)(F)F)C1CCC(C)O1
InChIInChI=1S/C11H18F3NO3/c1-3-17-10(16)9(15-6-11(12,13)14)8-5-4-7(2)18-8/h7-9,15H,3-6H2,1-2H3
InChIKeyQOOXDLZBYNSJBF-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.64
Rot. Bonds5

About ethyl 2-(5-methyloxolan-2-yl)-2-(2,2,2-trifluoroethylamino)acetate

ethyl 2-(5-methyloxolan-2-yl)-2-(2,2,2-trifluoroethylamino)acetate (PubChem CID 82837721) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is ethyl 2-(5-methyloxolan-2-yl)-2-(2,2,2-trifluoroethylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(5-methyloxolan-2-yl)-2-(2,2,2-trifluoroethylamino)acetate
PubChem CID82837721
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Nameethyl 2-(5-methyloxolan-2-yl)-2-(2,2,2-trifluoroethylamino)acetate
SMILESCCOC(=O)C(NCC(F)(F)F)C1CCC(C)O1
InChIInChI=1S/C11H18F3NO3/c1-3-17-10(16)9(15-6-11(12,13)14)8-5-4-7(2)18-8/h7-9,15H,3-6H2,1-2H3
InChIKeyQOOXDLZBYNSJBF-UHFFFAOYSA-N
XLogP1.64
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-methyloxolan-2-yl)-2-(2,2,2-trifluoroethylamino)acetate?
The IUPAC name of ethyl 2-(5-methyloxolan-2-yl)-2-(2,2,2-trifluoroethylamino)acetate (CID 82837721) is ethyl 2-(5-methyloxolan-2-yl)-2-(2,2,2-trifluoroethylamino)acetate.
What is the SMILES notation for ethyl 2-(5-methyloxolan-2-yl)-2-(2,2,2-trifluoroethylamino)acetate?
The canonical SMILES for ethyl 2-(5-methyloxolan-2-yl)-2-(2,2,2-trifluoroethylamino)acetate is CCOC(=O)C(NCC(F)(F)F)C1CCC(C)O1.
What is the InChIKey of ethyl 2-(5-methyloxolan-2-yl)-2-(2,2,2-trifluoroethylamino)acetate?
The InChIKey is QOOXDLZBYNSJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c1-3-17-10(16)9(15-6-11(12,13)14)8-5-4-7(2)18-8/h7-9,15H,3-6H2,1-2H3.
What are the key properties of ethyl 2-(5-methyloxolan-2-yl)-2-(2,2,2-trifluoroethylamino)acetate?
ethyl 2-(5-methyloxolan-2-yl)-2-(2,2,2-trifluoroethylamino)acetate has a molecular weight of 269.26 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-methyloxolan-2-yl)-2-(2,2,2-trifluoroethylamino)acetate is sourced from PubChem (CID 82837721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).