2,2,4,4-tetrafluoro-1,3-dioxine

C4H2F4O2 — CID 68830009

IUPAC2,2,4,4-tetrafluoro-1,3-dioxine
SMILESFC1(F)C=COC(F)(F)O1
InChIInChI=1S/C4H2F4O2/c5-3(6)1-2-9-4(7,8)10-3/h1-2H
InChIKeyNYXNHUHBHLCVCO-UHFFFAOYSA-N
MW158.05 g/mol
LogP1.69
Rot. Bonds

About 2,2,4,4-tetrafluoro-1,3-dioxine

2,2,4,4-tetrafluoro-1,3-dioxine (PubChem CID 68830009) has the molecular formula C4H2F4O2 and a molecular weight of 158.05 g/mol. Its IUPAC name is 2,2,4,4-tetrafluoro-1,3-dioxine.

Molecular Properties

Compound Name2,2,4,4-tetrafluoro-1,3-dioxine
PubChem CID68830009
Molecular FormulaC4H2F4O2
Molecular Weight158.05 g/mol
Exact Mass158.00
IUPAC Name2,2,4,4-tetrafluoro-1,3-dioxine
SMILESFC1(F)C=COC(F)(F)O1
InChIInChI=1S/C4H2F4O2/c5-3(6)1-2-9-4(7,8)10-3/h1-2H
InChIKeyNYXNHUHBHLCVCO-UHFFFAOYSA-N
XLogP1.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.05
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetrafluoro-1,3-dioxine?
The IUPAC name of 2,2,4,4-tetrafluoro-1,3-dioxine (CID 68830009) is 2,2,4,4-tetrafluoro-1,3-dioxine.
What is the SMILES notation for 2,2,4,4-tetrafluoro-1,3-dioxine?
The canonical SMILES for 2,2,4,4-tetrafluoro-1,3-dioxine is FC1(F)C=COC(F)(F)O1.
What is the InChIKey of 2,2,4,4-tetrafluoro-1,3-dioxine?
The InChIKey is NYXNHUHBHLCVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F4O2/c5-3(6)1-2-9-4(7,8)10-3/h1-2H.
What are the key properties of 2,2,4,4-tetrafluoro-1,3-dioxine?
2,2,4,4-tetrafluoro-1,3-dioxine has a molecular weight of 158.05 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetrafluoro-1,3-dioxine is sourced from PubChem (CID 68830009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).