2-[3-[2-(2,2,2-trifluoroethoxy)ethoxy]propoxy]oxane

C12H21F3O4 — CID 163671686

IUPAC2-[3-[2-(2,2,2-trifluoroethoxy)ethoxy]propoxy]oxane
SMILESFC(F)(F)COCCOCCCOC1CCCCO1
InChIInChI=1S/C12H21F3O4/c13-12(14,15)10-17-9-8-16-5-3-7-19-11-4-1-2-6-18-11/h11H,1-10H2
InChIKeyJDCLRZYWGASAEN-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.52
Rot. Bonds9

About 2-[3-[2-(2,2,2-trifluoroethoxy)ethoxy]propoxy]oxane

2-[3-[2-(2,2,2-trifluoroethoxy)ethoxy]propoxy]oxane (PubChem CID 163671686) has the molecular formula C12H21F3O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-[3-[2-(2,2,2-trifluoroethoxy)ethoxy]propoxy]oxane.

Molecular Properties

Compound Name2-[3-[2-(2,2,2-trifluoroethoxy)ethoxy]propoxy]oxane
PubChem CID163671686
Molecular FormulaC12H21F3O4
Molecular Weight286.29 g/mol
Exact Mass286.14
IUPAC Name2-[3-[2-(2,2,2-trifluoroethoxy)ethoxy]propoxy]oxane
SMILESFC(F)(F)COCCOCCCOC1CCCCO1
InChIInChI=1S/C12H21F3O4/c13-12(14,15)10-17-9-8-16-5-3-7-19-11-4-1-2-6-18-11/h11H,1-10H2
InChIKeyJDCLRZYWGASAEN-UHFFFAOYSA-N
XLogP2.52
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-[2-(2,2,2-trifluoroethoxy)ethoxy]propoxy]oxane 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-[3-[2-(2,2,2-trifluoroethoxy)ethoxy]propoxy]oxane?
The IUPAC name of 2-[3-[2-(2,2,2-trifluoroethoxy)ethoxy]propoxy]oxane (CID 163671686) is 2-[3-[2-(2,2,2-trifluoroethoxy)ethoxy]propoxy]oxane.
What is the SMILES notation for 2-[3-[2-(2,2,2-trifluoroethoxy)ethoxy]propoxy]oxane?
The canonical SMILES for 2-[3-[2-(2,2,2-trifluoroethoxy)ethoxy]propoxy]oxane is FC(F)(F)COCCOCCCOC1CCCCO1.
What is the InChIKey of 2-[3-[2-(2,2,2-trifluoroethoxy)ethoxy]propoxy]oxane?
The InChIKey is JDCLRZYWGASAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3O4/c13-12(14,15)10-17-9-8-16-5-3-7-19-11-4-1-2-6-18-11/h11H,1-10H2.
What are the key properties of 2-[3-[2-(2,2,2-trifluoroethoxy)ethoxy]propoxy]oxane?
2-[3-[2-(2,2,2-trifluoroethoxy)ethoxy]propoxy]oxane has a molecular weight of 286.29 g/mol, XLogP of 2.52, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(2,2,2-trifluoroethoxy)ethoxy]propoxy]oxane is sourced from PubChem (CID 163671686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).