2,2,3,5-tetrafluoro-3-(trifluoromethyl)-1,4-dioxine

C5HF7O2 — CID 89318758

IUPAC2,2,3,5-tetrafluoro-3-(trifluoromethyl)-1,4-dioxine
SMILESFC1=COC(F)(F)C(F)(C(F)(F)F)O1
InChIInChI=1S/C5HF7O2/c6-2-1-13-5(11,12)3(7,14-2)4(8,9)10/h1H
InChIKeyGRZSYBCBPUXSRS-UHFFFAOYSA-N
MW226.05 g/mol
LogP2.62
Rot. Bonds

About 2,2,3,5-tetrafluoro-3-(trifluoromethyl)-1,4-dioxine

2,2,3,5-tetrafluoro-3-(trifluoromethyl)-1,4-dioxine (PubChem CID 89318758) has the molecular formula C5HF7O2 and a molecular weight of 226.05 g/mol. Its IUPAC name is 2,2,3,5-tetrafluoro-3-(trifluoromethyl)-1,4-dioxine.

Molecular Properties

Compound Name2,2,3,5-tetrafluoro-3-(trifluoromethyl)-1,4-dioxine
PubChem CID89318758
Molecular FormulaC5HF7O2
Molecular Weight226.05 g/mol
Exact Mass225.99
IUPAC Name2,2,3,5-tetrafluoro-3-(trifluoromethyl)-1,4-dioxine
SMILESFC1=COC(F)(F)C(F)(C(F)(F)F)O1
InChIInChI=1S/C5HF7O2/c6-2-1-13-5(11,12)3(7,14-2)4(8,9)10/h1H
InChIKeyGRZSYBCBPUXSRS-UHFFFAOYSA-N
XLogP2.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.05
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,3,3,5,6-hexafluoro-5,6-bis(trifluoromethyl)-1,4-dioxane
CID 54145359
2,3,6,6,8,10-hexafluoro-8,10-bis(trifluoromethyl)-1,4,7,9-tetraoxaspiro[4.5]dec-2-ene
CID 88907706
2,2,3,3,4,5-hexafluoro-4,5-bis(trifluoromethyl)oxolane
CID 71396792
sulfuric acid;2,2,3-trifluoro-3-(trifluoromethyl)oxirane
CID 87965023
4,4,5,5,6-pentafluoro-2,3-dihydrooxepine
CID 154249670
2,3-difluoro-2-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)oxirane
CID 12520925
3,3,4,5-tetrafluoro-2,2-bis(trifluoromethyl)furan
CID 139601556
2-chloro-3-fluoro-2,3-bis(trifluoromethyl)oxirane
CID 14045703
4-methyl-2-(trifluoromethyl)-1,3-dioxole-2-carboxylic acid
CID 178078347
2-bromo-1-(5,5,6,6-tetrafluoro-1,4-dioxin-2-yl)ethanone
CID 22496362
2,2-difluoro-3-phenyl-3-(trifluoromethyl)oxirane
CID 14874563
potassium 4,5-difluoro-2,4,5-tris(trifluoromethyl)-1,3-dioxolane-2-carboxylate
CID 140580119

Frequently Asked Questions

What is the IUPAC name of 2,2,3,5-tetrafluoro-3-(trifluoromethyl)-1,4-dioxine?
The IUPAC name of 2,2,3,5-tetrafluoro-3-(trifluoromethyl)-1,4-dioxine (CID 89318758) is 2,2,3,5-tetrafluoro-3-(trifluoromethyl)-1,4-dioxine.
What is the SMILES notation for 2,2,3,5-tetrafluoro-3-(trifluoromethyl)-1,4-dioxine?
The canonical SMILES for 2,2,3,5-tetrafluoro-3-(trifluoromethyl)-1,4-dioxine is FC1=COC(F)(F)C(F)(C(F)(F)F)O1.
What is the InChIKey of 2,2,3,5-tetrafluoro-3-(trifluoromethyl)-1,4-dioxine?
The InChIKey is GRZSYBCBPUXSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HF7O2/c6-2-1-13-5(11,12)3(7,14-2)4(8,9)10/h1H.
What are the key properties of 2,2,3,5-tetrafluoro-3-(trifluoromethyl)-1,4-dioxine?
2,2,3,5-tetrafluoro-3-(trifluoromethyl)-1,4-dioxine has a molecular weight of 226.05 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,5-tetrafluoro-3-(trifluoromethyl)-1,4-dioxine is sourced from PubChem (CID 89318758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).