2,2,3-trifluoro-1,4-dioxane

C4H5F3O2 — CID 12856925

IUPAC2,2,3-trifluoro-1,4-dioxane
SMILESFC1OCCOC1(F)F
InChIInChI=1S/C4H5F3O2/c5-3-4(6,7)9-2-1-8-3/h3H,1-2H2
InChIKeyRYNFEJDFWOWJHY-UHFFFAOYSA-N
MW142.08 g/mol
LogP0.92
Rot. Bonds

About 2,2,3-trifluoro-1,4-dioxane

2,2,3-trifluoro-1,4-dioxane (PubChem CID 12856925) has the molecular formula C4H5F3O2 and a molecular weight of 142.08 g/mol. Its IUPAC name is 2,2,3-trifluoro-1,4-dioxane.

Molecular Properties

Compound Name2,2,3-trifluoro-1,4-dioxane
PubChem CID12856925
Molecular FormulaC4H5F3O2
Molecular Weight142.08 g/mol
Exact Mass142.02
IUPAC Name2,2,3-trifluoro-1,4-dioxane
SMILESFC1OCCOC1(F)F
InChIInChI=1S/C4H5F3O2/c5-3-4(6,7)9-2-1-8-3/h3H,1-2H2
InChIKeyRYNFEJDFWOWJHY-UHFFFAOYSA-N
XLogP0.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.08
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trifluoro-1,4-dioxane?
The IUPAC name of 2,2,3-trifluoro-1,4-dioxane (CID 12856925) is 2,2,3-trifluoro-1,4-dioxane.
What is the SMILES notation for 2,2,3-trifluoro-1,4-dioxane?
The canonical SMILES for 2,2,3-trifluoro-1,4-dioxane is FC1OCCOC1(F)F.
What is the InChIKey of 2,2,3-trifluoro-1,4-dioxane?
The InChIKey is RYNFEJDFWOWJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3O2/c5-3-4(6,7)9-2-1-8-3/h3H,1-2H2.
What are the key properties of 2,2,3-trifluoro-1,4-dioxane?
2,2,3-trifluoro-1,4-dioxane has a molecular weight of 142.08 g/mol, XLogP of 0.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trifluoro-1,4-dioxane is sourced from PubChem (CID 12856925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).