2,2,2-trifluoroethyl 2-[3-[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]oxiran-2-yl]acetate

C10H10F6O5 — CID 54169190

IUPAC2,2,2-trifluoroethyl 2-[3-[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]oxiran-2-yl]acetate
SMILESO=C(CC1OC1CC(=O)OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C10H10F6O5/c11-9(12,13)3-19-7(17)1-5-6(21-5)2-8(18)20-4-10(14,15)16/h5-6H,1-4H2
InChIKeyOTUWXPMNJCFXEO-UHFFFAOYSA-N
MW324.17 g/mol
LogP1.75
Rot. Bonds6

About 2,2,2-trifluoroethyl 2-[3-[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]oxiran-2-yl]acetate

2,2,2-trifluoroethyl 2-[3-[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]oxiran-2-yl]acetate (PubChem CID 54169190) has the molecular formula C10H10F6O5 and a molecular weight of 324.17 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 2-[3-[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]oxiran-2-yl]acetate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 2-[3-[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]oxiran-2-yl]acetate
PubChem CID54169190
Molecular FormulaC10H10F6O5
Molecular Weight324.17 g/mol
Exact Mass324.04
IUPAC Name2,2,2-trifluoroethyl 2-[3-[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]oxiran-2-yl]acetate
SMILESO=C(CC1OC1CC(=O)OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C10H10F6O5/c11-9(12,13)3-19-7(17)1-5-6(21-5)2-8(18)20-4-10(14,15)16/h5-6H,1-4H2
InChIKeyOTUWXPMNJCFXEO-UHFFFAOYSA-N
XLogP1.75
TPSA65.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2,2,2-trifluoroethyl 2-[3-[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]oxiran-2-yl]acetate 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 2,2,2-trifluoroethyl 2-[3-[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]oxiran-2-yl]acetate?
The IUPAC name of 2,2,2-trifluoroethyl 2-[3-[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]oxiran-2-yl]acetate (CID 54169190) is 2,2,2-trifluoroethyl 2-[3-[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]oxiran-2-yl]acetate.
What is the SMILES notation for 2,2,2-trifluoroethyl 2-[3-[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]oxiran-2-yl]acetate?
The canonical SMILES for 2,2,2-trifluoroethyl 2-[3-[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]oxiran-2-yl]acetate is O=C(CC1OC1CC(=O)OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl 2-[3-[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]oxiran-2-yl]acetate?
The InChIKey is OTUWXPMNJCFXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F6O5/c11-9(12,13)3-19-7(17)1-5-6(21-5)2-8(18)20-4-10(14,15)16/h5-6H,1-4H2.
What are the key properties of 2,2,2-trifluoroethyl 2-[3-[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]oxiran-2-yl]acetate?
2,2,2-trifluoroethyl 2-[3-[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]oxiran-2-yl]acetate has a molecular weight of 324.17 g/mol, XLogP of 1.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 2-[3-[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]oxiran-2-yl]acetate is sourced from PubChem (CID 54169190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).