2-ethoxy-3-(2-phenylethyl)-2-(trifluoromethyl)oxirane

C13H15F3O2 — CID 15651912

IUPAC2-ethoxy-3-(2-phenylethyl)-2-(trifluoromethyl)oxirane
SMILESCCOC1(C(F)(F)F)OC1CCc1ccccc1
InChIInChI=1S/C13H15F3O2/c1-2-17-12(13(14,15)16)11(18-12)9-8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
InChIKeyQLRHSAZKQFSJJJ-UHFFFAOYSA-N
MW260.25 g/mol
LogP3.31
Rot. Bonds5

About 2-ethoxy-3-(2-phenylethyl)-2-(trifluoromethyl)oxirane

2-ethoxy-3-(2-phenylethyl)-2-(trifluoromethyl)oxirane (PubChem CID 15651912) has the molecular formula C13H15F3O2 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-ethoxy-3-(2-phenylethyl)-2-(trifluoromethyl)oxirane.

Molecular Properties

Compound Name2-ethoxy-3-(2-phenylethyl)-2-(trifluoromethyl)oxirane
PubChem CID15651912
Molecular FormulaC13H15F3O2
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Name2-ethoxy-3-(2-phenylethyl)-2-(trifluoromethyl)oxirane
SMILESCCOC1(C(F)(F)F)OC1CCc1ccccc1
InChIInChI=1S/C13H15F3O2/c1-2-17-12(13(14,15)16)11(18-12)9-8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
InChIKeyQLRHSAZKQFSJJJ-UHFFFAOYSA-N
XLogP3.31
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethoxy-3-(2-phenylethyl)-2-(trifluoromethyl)oxirane 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-ethoxy-3-(2-phenylethyl)-2-(trifluoromethyl)oxirane?
The IUPAC name of 2-ethoxy-3-(2-phenylethyl)-2-(trifluoromethyl)oxirane (CID 15651912) is 2-ethoxy-3-(2-phenylethyl)-2-(trifluoromethyl)oxirane.
What is the SMILES notation for 2-ethoxy-3-(2-phenylethyl)-2-(trifluoromethyl)oxirane?
The canonical SMILES for 2-ethoxy-3-(2-phenylethyl)-2-(trifluoromethyl)oxirane is CCOC1(C(F)(F)F)OC1CCc1ccccc1.
What is the InChIKey of 2-ethoxy-3-(2-phenylethyl)-2-(trifluoromethyl)oxirane?
The InChIKey is QLRHSAZKQFSJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O2/c1-2-17-12(13(14,15)16)11(18-12)9-8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3.
What are the key properties of 2-ethoxy-3-(2-phenylethyl)-2-(trifluoromethyl)oxirane?
2-ethoxy-3-(2-phenylethyl)-2-(trifluoromethyl)oxirane has a molecular weight of 260.25 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(2-phenylethyl)-2-(trifluoromethyl)oxirane is sourced from PubChem (CID 15651912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).