4-fluoro-1,3-dioxolan-2-one

C3H3FO3 — CID 2769656

IUPAC4-fluoro-1,3-dioxolan-2-one
SMILESO=C1OCC(F)O1
InChIInChI=1S/C3H3FO3/c4-2-1-6-3(5)7-2/h2H,1H2
InChIKeySBLRHMKNNHXPHG-UHFFFAOYSA-N
MW106.05 g/mol
LogP0.45
Rot. Bonds

About 4-fluoro-1,3-dioxolan-2-one

4-fluoro-1,3-dioxolan-2-one (PubChem CID 2769656) has the molecular formula C3H3FO3 and a molecular weight of 106.05 g/mol. Its IUPAC name is 4-fluoro-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-fluoro-1,3-dioxolan-2-one
PubChem CID2769656
Molecular FormulaC3H3FO3
Molecular Weight106.05 g/mol
Exact Mass106.01
IUPAC Name4-fluoro-1,3-dioxolan-2-one
SMILESO=C1OCC(F)O1
InChIInChI=1S/C3H3FO3/c4-2-1-6-3(5)7-2/h2H,1H2
InChIKeySBLRHMKNNHXPHG-UHFFFAOYSA-N
XLogP0.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.05
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1,3-dioxolan-2-one?
The IUPAC name of 4-fluoro-1,3-dioxolan-2-one (CID 2769656) is 4-fluoro-1,3-dioxolan-2-one.
What is the SMILES notation for 4-fluoro-1,3-dioxolan-2-one?
The canonical SMILES for 4-fluoro-1,3-dioxolan-2-one is O=C1OCC(F)O1.
What is the InChIKey of 4-fluoro-1,3-dioxolan-2-one?
The InChIKey is SBLRHMKNNHXPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3FO3/c4-2-1-6-3(5)7-2/h2H,1H2.
What are the key properties of 4-fluoro-1,3-dioxolan-2-one?
4-fluoro-1,3-dioxolan-2-one has a molecular weight of 106.05 g/mol, XLogP of 0.45, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,3-dioxolan-2-one is sourced from PubChem (CID 2769656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).