2,3,5-trifluoro-6-(trifluoromethyl)-2,3-dihydro-1,4-dioxine

C5H2F6O2 — CID 18400466

IUPAC2,3,5-trifluoro-6-(trifluoromethyl)-2,3-dihydro-1,4-dioxine
SMILESFC1=C(C(F)(F)F)OC(F)C(F)O1
InChIInChI=1S/C5H2F6O2/c6-2-1(5(9,10)11)12-3(7)4(8)13-2/h3-4H
InChIKeyOWUIFOHLSFKSHL-UHFFFAOYSA-N
MW208.06 g/mol
LogP2.33
Rot. Bonds

About 2,3,5-trifluoro-6-(trifluoromethyl)-2,3-dihydro-1,4-dioxine

2,3,5-trifluoro-6-(trifluoromethyl)-2,3-dihydro-1,4-dioxine (PubChem CID 18400466) has the molecular formula C5H2F6O2 and a molecular weight of 208.06 g/mol. Its IUPAC name is 2,3,5-trifluoro-6-(trifluoromethyl)-2,3-dihydro-1,4-dioxine.

Molecular Properties

Compound Name2,3,5-trifluoro-6-(trifluoromethyl)-2,3-dihydro-1,4-dioxine
PubChem CID18400466
Molecular FormulaC5H2F6O2
Molecular Weight208.06 g/mol
Exact Mass208.00
IUPAC Name2,3,5-trifluoro-6-(trifluoromethyl)-2,3-dihydro-1,4-dioxine
SMILESFC1=C(C(F)(F)F)OC(F)C(F)O1
InChIInChI=1S/C5H2F6O2/c6-2-1(5(9,10)11)12-3(7)4(8)13-2/h3-4H
InChIKeyOWUIFOHLSFKSHL-UHFFFAOYSA-N
XLogP2.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.06
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trifluoro-6-(trifluoromethyl)-2,3-dihydro-1,4-dioxine?
The IUPAC name of 2,3,5-trifluoro-6-(trifluoromethyl)-2,3-dihydro-1,4-dioxine (CID 18400466) is 2,3,5-trifluoro-6-(trifluoromethyl)-2,3-dihydro-1,4-dioxine.
What is the SMILES notation for 2,3,5-trifluoro-6-(trifluoromethyl)-2,3-dihydro-1,4-dioxine?
The canonical SMILES for 2,3,5-trifluoro-6-(trifluoromethyl)-2,3-dihydro-1,4-dioxine is FC1=C(C(F)(F)F)OC(F)C(F)O1.
What is the InChIKey of 2,3,5-trifluoro-6-(trifluoromethyl)-2,3-dihydro-1,4-dioxine?
The InChIKey is OWUIFOHLSFKSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F6O2/c6-2-1(5(9,10)11)12-3(7)4(8)13-2/h3-4H.
What are the key properties of 2,3,5-trifluoro-6-(trifluoromethyl)-2,3-dihydro-1,4-dioxine?
2,3,5-trifluoro-6-(trifluoromethyl)-2,3-dihydro-1,4-dioxine has a molecular weight of 208.06 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trifluoro-6-(trifluoromethyl)-2,3-dihydro-1,4-dioxine is sourced from PubChem (CID 18400466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).