1-(2-ethoxyethoxy)-2-[2-(2-fluoroethoxy)ethoxymethyl]-3-[1-fluoro-2-(2-fluoroethoxy)ethoxy]-2-methylpropane

C17H33F3O6 — CID 170163035

IUPAC1-(2-ethoxyethoxy)-2-[2-(2-fluoroethoxy)ethoxymethyl]-3-[1-fluoro-2-(2-fluoroethoxy)ethoxy]-2-methylpropane
SMILESCCOCCOCC(C)(COCCOCCF)COC(F)COCCF
InChIInChI=1S/C17H33F3O6/c1-3-21-8-10-24-13-17(2,14-25-11-9-22-6-4-18)15-26-16(20)12-23-7-5-19/h16H,3-15H2,1-2H3
InChIKeyKNPWCYQJYOMRHS-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.35
Rot. Bonds20

About 1-(2-ethoxyethoxy)-2-[2-(2-fluoroethoxy)ethoxymethyl]-3-[1-fluoro-2-(2-fluoroethoxy)ethoxy]-2-methylpropane

1-(2-ethoxyethoxy)-2-[2-(2-fluoroethoxy)ethoxymethyl]-3-[1-fluoro-2-(2-fluoroethoxy)ethoxy]-2-methylpropane (PubChem CID 170163035) has the molecular formula C17H33F3O6 and a molecular weight of 390.44 g/mol. Its IUPAC name is 1-(2-ethoxyethoxy)-2-[2-(2-fluoroethoxy)ethoxymethyl]-3-[1-fluoro-2-(2-fluoroethoxy)ethoxy]-2-methylpropane.

Molecular Properties

Compound Name1-(2-ethoxyethoxy)-2-[2-(2-fluoroethoxy)ethoxymethyl]-3-[1-fluoro-2-(2-fluoroethoxy)ethoxy]-2-methylpropane
PubChem CID170163035
Molecular FormulaC17H33F3O6
Molecular Weight390.44 g/mol
Exact Mass390.22
IUPAC Name1-(2-ethoxyethoxy)-2-[2-(2-fluoroethoxy)ethoxymethyl]-3-[1-fluoro-2-(2-fluoroethoxy)ethoxy]-2-methylpropane
SMILESCCOCCOCC(C)(COCCOCCF)COC(F)COCCF
InChIInChI=1S/C17H33F3O6/c1-3-21-8-10-24-13-17(2,14-25-11-9-22-6-4-18)15-26-16(20)12-23-7-5-19/h16H,3-15H2,1-2H3
InChIKeyKNPWCYQJYOMRHS-UHFFFAOYSA-N
XLogP2.35
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 1-(2-ethoxyethoxy)-2-[2-(2-fluoroethoxy)ethoxymethyl]-3-[1-fluoro-2-(2-fluoroethoxy)ethoxy]-2-methylpropane?
The IUPAC name of 1-(2-ethoxyethoxy)-2-[2-(2-fluoroethoxy)ethoxymethyl]-3-[1-fluoro-2-(2-fluoroethoxy)ethoxy]-2-methylpropane (CID 170163035) is 1-(2-ethoxyethoxy)-2-[2-(2-fluoroethoxy)ethoxymethyl]-3-[1-fluoro-2-(2-fluoroethoxy)ethoxy]-2-methylpropane.
What is the SMILES notation for 1-(2-ethoxyethoxy)-2-[2-(2-fluoroethoxy)ethoxymethyl]-3-[1-fluoro-2-(2-fluoroethoxy)ethoxy]-2-methylpropane?
The canonical SMILES for 1-(2-ethoxyethoxy)-2-[2-(2-fluoroethoxy)ethoxymethyl]-3-[1-fluoro-2-(2-fluoroethoxy)ethoxy]-2-methylpropane is CCOCCOCC(C)(COCCOCCF)COC(F)COCCF.
What is the InChIKey of 1-(2-ethoxyethoxy)-2-[2-(2-fluoroethoxy)ethoxymethyl]-3-[1-fluoro-2-(2-fluoroethoxy)ethoxy]-2-methylpropane?
The InChIKey is KNPWCYQJYOMRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33F3O6/c1-3-21-8-10-24-13-17(2,14-25-11-9-22-6-4-18)15-26-16(20)12-23-7-5-19/h16H,3-15H2,1-2H3.
What are the key properties of 1-(2-ethoxyethoxy)-2-[2-(2-fluoroethoxy)ethoxymethyl]-3-[1-fluoro-2-(2-fluoroethoxy)ethoxy]-2-methylpropane?
1-(2-ethoxyethoxy)-2-[2-(2-fluoroethoxy)ethoxymethyl]-3-[1-fluoro-2-(2-fluoroethoxy)ethoxy]-2-methylpropane has a molecular weight of 390.44 g/mol, XLogP of 2.35, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethoxy)-2-[2-(2-fluoroethoxy)ethoxymethyl]-3-[1-fluoro-2-(2-fluoroethoxy)ethoxy]-2-methylpropane is sourced from PubChem (CID 170163035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).