1-(1-fluoroethoxy)-1-(fluoromethoxy)ethane

C5H10F2O2 — CID 57032826

IUPAC1-(1-fluoroethoxy)-1-(fluoromethoxy)ethane
SMILESCC(F)OC(C)OCF
InChIInChI=1S/C5H10F2O2/c1-4(7)9-5(2)8-3-6/h4-5H,3H2,1-2H3
InChIKeyJBRQBXJOZYLRSW-UHFFFAOYSA-N
MW140.13 g/mol
LogP1.61
Rot. Bonds4

About 1-(1-fluoroethoxy)-1-(fluoromethoxy)ethane

1-(1-fluoroethoxy)-1-(fluoromethoxy)ethane (PubChem CID 57032826) has the molecular formula C5H10F2O2 and a molecular weight of 140.13 g/mol. Its IUPAC name is 1-(1-fluoroethoxy)-1-(fluoromethoxy)ethane.

Molecular Properties

Compound Name1-(1-fluoroethoxy)-1-(fluoromethoxy)ethane
PubChem CID57032826
Molecular FormulaC5H10F2O2
Molecular Weight140.13 g/mol
Exact Mass140.06
IUPAC Name1-(1-fluoroethoxy)-1-(fluoromethoxy)ethane
SMILESCC(F)OC(C)OCF
InChIInChI=1S/C5H10F2O2/c1-4(7)9-5(2)8-3-6/h4-5H,3H2,1-2H3
InChIKeyJBRQBXJOZYLRSW-UHFFFAOYSA-N
XLogP1.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.13
LogP ≤ 51.61
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 1-(1-fluoroethoxy)-1-(fluoromethoxy)ethane?
The IUPAC name of 1-(1-fluoroethoxy)-1-(fluoromethoxy)ethane (CID 57032826) is 1-(1-fluoroethoxy)-1-(fluoromethoxy)ethane.
What is the SMILES notation for 1-(1-fluoroethoxy)-1-(fluoromethoxy)ethane?
The canonical SMILES for 1-(1-fluoroethoxy)-1-(fluoromethoxy)ethane is CC(F)OC(C)OCF.
What is the InChIKey of 1-(1-fluoroethoxy)-1-(fluoromethoxy)ethane?
The InChIKey is JBRQBXJOZYLRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2O2/c1-4(7)9-5(2)8-3-6/h4-5H,3H2,1-2H3.
What are the key properties of 1-(1-fluoroethoxy)-1-(fluoromethoxy)ethane?
1-(1-fluoroethoxy)-1-(fluoromethoxy)ethane has a molecular weight of 140.13 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoroethoxy)-1-(fluoromethoxy)ethane is sourced from PubChem (CID 57032826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).