2,4-difluoro-5-methoxy-1,3-dioxole

C4H4F2O3 — CID 18761689

IUPAC2,4-difluoro-5-methoxy-1,3-dioxole
SMILESCOC1=C(F)OC(F)O1
InChIInChI=1S/C4H4F2O3/c1-7-3-2(5)8-4(6)9-3/h4H,1H3
InChIKeyHZQHVEBJKNKXFV-UHFFFAOYSA-N
MW138.07 g/mol
LogP1.03
Rot. Bonds1

About 2,4-difluoro-5-methoxy-1,3-dioxole

2,4-difluoro-5-methoxy-1,3-dioxole (PubChem CID 18761689) has the molecular formula C4H4F2O3 and a molecular weight of 138.07 g/mol. Its IUPAC name is 2,4-difluoro-5-methoxy-1,3-dioxole.

Molecular Properties

Compound Name2,4-difluoro-5-methoxy-1,3-dioxole
PubChem CID18761689
Molecular FormulaC4H4F2O3
Molecular Weight138.07 g/mol
Exact Mass138.01
IUPAC Name2,4-difluoro-5-methoxy-1,3-dioxole
SMILESCOC1=C(F)OC(F)O1
InChIInChI=1S/C4H4F2O3/c1-7-3-2(5)8-4(6)9-3/h4H,1H3
InChIKeyHZQHVEBJKNKXFV-UHFFFAOYSA-N
XLogP1.03
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.07
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-methoxy-1,3-dioxole?
The IUPAC name of 2,4-difluoro-5-methoxy-1,3-dioxole (CID 18761689) is 2,4-difluoro-5-methoxy-1,3-dioxole.
What is the SMILES notation for 2,4-difluoro-5-methoxy-1,3-dioxole?
The canonical SMILES for 2,4-difluoro-5-methoxy-1,3-dioxole is COC1=C(F)OC(F)O1.
What is the InChIKey of 2,4-difluoro-5-methoxy-1,3-dioxole?
The InChIKey is HZQHVEBJKNKXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2O3/c1-7-3-2(5)8-4(6)9-3/h4H,1H3.
What are the key properties of 2,4-difluoro-5-methoxy-1,3-dioxole?
2,4-difluoro-5-methoxy-1,3-dioxole has a molecular weight of 138.07 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-methoxy-1,3-dioxole is sourced from PubChem (CID 18761689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).