2-ethoxy-1-(8-fluorooctoxy)-2-methylpentadecane

C26H53FO2 — CID 139725340

IUPAC2-ethoxy-1-(8-fluorooctoxy)-2-methylpentadecane
SMILESCCCCCCCCCCCCCC(C)(COCCCCCCCCF)OCC
InChIInChI=1S/C26H53FO2/c1-4-6-7-8-9-10-11-12-13-16-19-22-26(3,29-5-2)25-28-24-21-18-15-14-17-20-23-27/h4-25H2,1-3H3
InChIKeyDQIDBGVBZBEMCO-UHFFFAOYSA-N
MW416.71 g/mol
LogP8.81
Rot. Bonds24

About 2-ethoxy-1-(8-fluorooctoxy)-2-methylpentadecane

2-ethoxy-1-(8-fluorooctoxy)-2-methylpentadecane (PubChem CID 139725340) has the molecular formula C26H53FO2 and a molecular weight of 416.71 g/mol. Its IUPAC name is 2-ethoxy-1-(8-fluorooctoxy)-2-methylpentadecane.

Molecular Properties

Compound Name2-ethoxy-1-(8-fluorooctoxy)-2-methylpentadecane
PubChem CID139725340
Molecular FormulaC26H53FO2
Molecular Weight416.71 g/mol
Exact Mass416.40
IUPAC Name2-ethoxy-1-(8-fluorooctoxy)-2-methylpentadecane
SMILESCCCCCCCCCCCCCC(C)(COCCCCCCCCF)OCC
InChIInChI=1S/C26H53FO2/c1-4-6-7-8-9-10-11-12-13-16-19-22-26(3,29-5-2)25-28-24-21-18-15-14-17-20-23-27/h4-25H2,1-3H3
InChIKeyDQIDBGVBZBEMCO-UHFFFAOYSA-N
XLogP8.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.71
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-ethoxy-1-(8-fluorooctoxy)-2-methylpentadecane?
The IUPAC name of 2-ethoxy-1-(8-fluorooctoxy)-2-methylpentadecane (CID 139725340) is 2-ethoxy-1-(8-fluorooctoxy)-2-methylpentadecane.
What is the SMILES notation for 2-ethoxy-1-(8-fluorooctoxy)-2-methylpentadecane?
The canonical SMILES for 2-ethoxy-1-(8-fluorooctoxy)-2-methylpentadecane is CCCCCCCCCCCCCC(C)(COCCCCCCCCF)OCC.
What is the InChIKey of 2-ethoxy-1-(8-fluorooctoxy)-2-methylpentadecane?
The InChIKey is DQIDBGVBZBEMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H53FO2/c1-4-6-7-8-9-10-11-12-13-16-19-22-26(3,29-5-2)25-28-24-21-18-15-14-17-20-23-27/h4-25H2,1-3H3.
What are the key properties of 2-ethoxy-1-(8-fluorooctoxy)-2-methylpentadecane?
2-ethoxy-1-(8-fluorooctoxy)-2-methylpentadecane has a molecular weight of 416.71 g/mol, XLogP of 8.81, 24 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(8-fluorooctoxy)-2-methylpentadecane is sourced from PubChem (CID 139725340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).