1-(2-fluoroethoxy)-1,2-dimethoxyethane

C6H13FO3 — CID 58454458

IUPAC1-(2-fluoroethoxy)-1,2-dimethoxyethane
SMILESCOCC(OC)OCCF
InChIInChI=1S/C6H13FO3/c1-8-5-6(9-2)10-4-3-7/h6H,3-5H2,1-2H3
InChIKeyCWZJSPYECVVTKI-UHFFFAOYSA-N
MW152.16 g/mol
LogP0.59
Rot. Bonds6

About 1-(2-fluoroethoxy)-1,2-dimethoxyethane

1-(2-fluoroethoxy)-1,2-dimethoxyethane (PubChem CID 58454458) has the molecular formula C6H13FO3 and a molecular weight of 152.16 g/mol. Its IUPAC name is 1-(2-fluoroethoxy)-1,2-dimethoxyethane.

Molecular Properties

Compound Name1-(2-fluoroethoxy)-1,2-dimethoxyethane
PubChem CID58454458
Molecular FormulaC6H13FO3
Molecular Weight152.16 g/mol
Exact Mass152.08
IUPAC Name1-(2-fluoroethoxy)-1,2-dimethoxyethane
SMILESCOCC(OC)OCCF
InChIInChI=1S/C6H13FO3/c1-8-5-6(9-2)10-4-3-7/h6H,3-5H2,1-2H3
InChIKeyCWZJSPYECVVTKI-UHFFFAOYSA-N
XLogP0.59
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2-fluoroethoxy)-1,2-dimethoxyethane?
The IUPAC name of 1-(2-fluoroethoxy)-1,2-dimethoxyethane (CID 58454458) is 1-(2-fluoroethoxy)-1,2-dimethoxyethane.
What is the SMILES notation for 1-(2-fluoroethoxy)-1,2-dimethoxyethane?
The canonical SMILES for 1-(2-fluoroethoxy)-1,2-dimethoxyethane is COCC(OC)OCCF.
What is the InChIKey of 1-(2-fluoroethoxy)-1,2-dimethoxyethane?
The InChIKey is CWZJSPYECVVTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FO3/c1-8-5-6(9-2)10-4-3-7/h6H,3-5H2,1-2H3.
What are the key properties of 1-(2-fluoroethoxy)-1,2-dimethoxyethane?
1-(2-fluoroethoxy)-1,2-dimethoxyethane has a molecular weight of 152.16 g/mol, XLogP of 0.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethoxy)-1,2-dimethoxyethane is sourced from PubChem (CID 58454458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).