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

C5H5F3O2 — CID 142648430

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 Name2,2,3-trifluoro-3-methyl-1,4-dioxine
PubChem CID142648430
Molecular FormulaC5H5F3O2
Molecular Weight154.09 g/mol
Exact Mass154.02
IUPAC Name2,2,3-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
XLogP1.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.09
LogP ≤ 51.78
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-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).