1-fluoro-1,1-dimethoxyethane

C4H9FO2 — CID 19762852

IUPAC1-fluoro-1,1-dimethoxyethane
SMILESCOC(C)(F)OC
InChIInChI=1S/C4H9FO2/c1-4(5,6-2)7-3/h1-3H3
InChIKeyVNWJSASIBKAVDY-UHFFFAOYSA-N
MW108.11 g/mol
LogP0.92
Rot. Bonds2

About 1-fluoro-1,1-dimethoxyethane

1-fluoro-1,1-dimethoxyethane (PubChem CID 19762852) has the molecular formula C4H9FO2 and a molecular weight of 108.11 g/mol. Its IUPAC name is 1-fluoro-1,1-dimethoxyethane.

Molecular Properties

Compound Name1-fluoro-1,1-dimethoxyethane
PubChem CID19762852
Molecular FormulaC4H9FO2
Molecular Weight108.11 g/mol
Exact Mass108.06
IUPAC Name1-fluoro-1,1-dimethoxyethane
SMILESCOC(C)(F)OC
InChIInChI=1S/C4H9FO2/c1-4(5,6-2)7-3/h1-3H3
InChIKeyVNWJSASIBKAVDY-UHFFFAOYSA-N
XLogP0.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.11
LogP ≤ 50.92
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-fluoro-1,1-dimethoxyethane?
The IUPAC name of 1-fluoro-1,1-dimethoxyethane (CID 19762852) is 1-fluoro-1,1-dimethoxyethane.
What is the SMILES notation for 1-fluoro-1,1-dimethoxyethane?
The canonical SMILES for 1-fluoro-1,1-dimethoxyethane is COC(C)(F)OC.
What is the InChIKey of 1-fluoro-1,1-dimethoxyethane?
The InChIKey is VNWJSASIBKAVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FO2/c1-4(5,6-2)7-3/h1-3H3.
What are the key properties of 1-fluoro-1,1-dimethoxyethane?
1-fluoro-1,1-dimethoxyethane has a molecular weight of 108.11 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1,1-dimethoxyethane is sourced from PubChem (CID 19762852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).