[ethoxy(fluoro)methoxy]ethane

C5H11FO2 — CID 13159389

IUPAC[ethoxy(fluoro)methoxy]ethane
SMILESCCOC(F)OCC
InChIInChI=1S/C5H11FO2/c1-3-7-5(6)8-4-2/h5H,3-4H2,1-2H3
InChIKeyYSRJXKCAYJZZFK-UHFFFAOYSA-N
MW122.14 g/mol
LogP1.31
Rot. Bonds4

About [ethoxy(fluoro)methoxy]ethane

[ethoxy(fluoro)methoxy]ethane (PubChem CID 13159389) has the molecular formula C5H11FO2 and a molecular weight of 122.14 g/mol. Its IUPAC name is [ethoxy(fluoro)methoxy]ethane.

Molecular Properties

Compound Name[ethoxy(fluoro)methoxy]ethane
PubChem CID13159389
Molecular FormulaC5H11FO2
Molecular Weight122.14 g/mol
Exact Mass122.07
IUPAC Name[ethoxy(fluoro)methoxy]ethane
SMILESCCOC(F)OCC
InChIInChI=1S/C5H11FO2/c1-3-7-5(6)8-4-2/h5H,3-4H2,1-2H3
InChIKeyYSRJXKCAYJZZFK-UHFFFAOYSA-N
XLogP1.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.14
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [ethoxy(fluoro)methoxy]ethane?
The IUPAC name of [ethoxy(fluoro)methoxy]ethane (CID 13159389) is [ethoxy(fluoro)methoxy]ethane.
What is the SMILES notation for [ethoxy(fluoro)methoxy]ethane?
The canonical SMILES for [ethoxy(fluoro)methoxy]ethane is CCOC(F)OCC.
What is the InChIKey of [ethoxy(fluoro)methoxy]ethane?
The InChIKey is YSRJXKCAYJZZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FO2/c1-3-7-5(6)8-4-2/h5H,3-4H2,1-2H3.
What are the key properties of [ethoxy(fluoro)methoxy]ethane?
[ethoxy(fluoro)methoxy]ethane has a molecular weight of 122.14 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy(fluoro)methoxy]ethane is sourced from PubChem (CID 13159389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).