4-fluoro-4H-1,3-dioxine

C4H5FO2 — CID 150614116

IUPAC4-fluoro-4H-1,3-dioxine
SMILESFC1C=COCO1
InChIInChI=1S/C4H5FO2/c5-4-1-2-6-3-7-4/h1-2,4H,3H2
InChIKeyIUNHTJBFADBJOD-UHFFFAOYSA-N
MW104.08 g/mol
LogP0.80
Rot. Bonds

About 4-fluoro-4H-1,3-dioxine

4-fluoro-4H-1,3-dioxine (PubChem CID 150614116) has the molecular formula C4H5FO2 and a molecular weight of 104.08 g/mol. Its IUPAC name is 4-fluoro-4H-1,3-dioxine.

Molecular Properties

Compound Name4-fluoro-4H-1,3-dioxine
PubChem CID150614116
Molecular FormulaC4H5FO2
Molecular Weight104.08 g/mol
Exact Mass104.03
IUPAC Name4-fluoro-4H-1,3-dioxine
SMILESFC1C=COCO1
InChIInChI=1S/C4H5FO2/c5-4-1-2-6-3-7-4/h1-2,4H,3H2
InChIKeyIUNHTJBFADBJOD-UHFFFAOYSA-N
XLogP0.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.08
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4H-1,3-dioxine?
The IUPAC name of 4-fluoro-4H-1,3-dioxine (CID 150614116) is 4-fluoro-4H-1,3-dioxine.
What is the SMILES notation for 4-fluoro-4H-1,3-dioxine?
The canonical SMILES for 4-fluoro-4H-1,3-dioxine is FC1C=COCO1.
What is the InChIKey of 4-fluoro-4H-1,3-dioxine?
The InChIKey is IUNHTJBFADBJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FO2/c5-4-1-2-6-3-7-4/h1-2,4H,3H2.
What are the key properties of 4-fluoro-4H-1,3-dioxine?
4-fluoro-4H-1,3-dioxine has a molecular weight of 104.08 g/mol, XLogP of 0.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4H-1,3-dioxine is sourced from PubChem (CID 150614116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).