2,2,3-trifluoro-3-methyl-1,4-dioxine

Name: 2,2,3-trifluoro-3-methyl-1,4-dioxine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₅H₅F₃O₂ — CID 142648430

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2,2,3-trifluoro-3-methyl-1,4-dioxine

SMILESCC1(F)OC=COC1(F)F

InChIInChI=1S/C5H5F3O2/c1-4(6)5(7,8)10-3-2-9-4/h2-3H,1H3

InChIKeyBWBJVQQBNOEFOY-UHFFFAOYSA-N

MW154.09 g/mol

LogP1.78

Rot. Bonds

About 2,2,3-trifluoro-3-methyl-1,4-dioxine

2,2,3-trifluoro-3-methyl-1,4-dioxine (PubChem CID 142648430) has the molecular formula C₅H₅F₃O₂ and a molecular weight of 154.09 g/mol. Its IUPAC name is 2,2,3-trifluoro-3-methyl-1,4-dioxine.

Molecular Properties

Compound Name	2,2,3-trifluoro-3-methyl-1,4-dioxine
PubChem CID	142648430
Molecular Formula	C₅H₅F₃O₂
Molecular Weight	154.09 g/mol
Exact Mass	154.02
IUPAC Name	2,2,3-trifluoro-3-methyl-1,4-dioxine
SMILES	CC1(F)OC=COC1(F)F
InChI	InChI=1S/C5H5F3O2/c1-4(6)5(7,8)10-3-2-9-4/h2-3H,1H3
InChIKey	BWBJVQQBNOEFOY-UHFFFAOYSA-N
XLogP	1.78
TPSA	18.46 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds
Heavy Atoms	10
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	154.09
LogP ≤ 5	1.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trifluoro-3-methyl-1,4-dioxine?

The IUPAC name of 2,2,3-trifluoro-3-methyl-1,4-dioxine (CID 142648430) is 2,2,3-trifluoro-3-methyl-1,4-dioxine.

What is the SMILES notation for 2,2,3-trifluoro-3-methyl-1,4-dioxine?

The canonical SMILES for 2,2,3-trifluoro-3-methyl-1,4-dioxine is CC1(F)OC=COC1(F)F.

What is the InChIKey of 2,2,3-trifluoro-3-methyl-1,4-dioxine?

The InChIKey is BWBJVQQBNOEFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3O2/c1-4(6)5(7,8)10-3-2-9-4/h2-3H,1H3.

What are the key properties of 2,2,3-trifluoro-3-methyl-1,4-dioxine?

2,2,3-trifluoro-3-methyl-1,4-dioxine has a molecular weight of 154.09 g/mol, XLogP of 1.78, 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-3-methyl-1,4-dioxine is sourced from PubChem (CID 142648430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 142648430 — identifiers, structure, computed properties (public domain)

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