2,2,5-trifluoro-1,3-dioxane

C4H5F3O2 — CID 154222537

IUPAC2,2,5-trifluoro-1,3-dioxane
SMILESFC1COC(F)(F)OC1
InChIInChI=1S/C4H5F3O2/c5-3-1-8-4(6,7)9-2-3/h3H,1-2H2
InChIKeySGYBROJNRVLELJ-UHFFFAOYSA-N
MW142.08 g/mol
LogP0.92
Rot. Bonds

About 2,2,5-trifluoro-1,3-dioxane

2,2,5-trifluoro-1,3-dioxane (PubChem CID 154222537) has the molecular formula C4H5F3O2 and a molecular weight of 142.08 g/mol. Its IUPAC name is 2,2,5-trifluoro-1,3-dioxane.

Molecular Properties

Compound Name2,2,5-trifluoro-1,3-dioxane
PubChem CID154222537
Molecular FormulaC4H5F3O2
Molecular Weight142.08 g/mol
Exact Mass142.02
IUPAC Name2,2,5-trifluoro-1,3-dioxane
SMILESFC1COC(F)(F)OC1
InChIInChI=1S/C4H5F3O2/c5-3-1-8-4(6,7)9-2-3/h3H,1-2H2
InChIKeySGYBROJNRVLELJ-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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Related Compounds

5-[4-(4-ethylcyclohexyl)cyclohexyl]-2,2-difluoro-1,3-dioxane
CID 154524113
2,2-difluoro-5-[2-(4-propylcyclohexyl)ethyl]-1,3-dioxane
CID 59875976
3-fluoro-1-oxa-8-azaspiro[4.5]decane
CID 55280856
2,2,3-trifluorothiirane
CID 54324343
2,2-difluorooxirane
CID 19829575
2,2-dichloro-4-fluoro-1,3-dioxolane
CID 154217864
4,4,5-trifluorotrioxane
CID 162226632
2,2-difluorooxetane;fluoromethane;molecular fluorine
CID 157131150
(2S,3S,4R,5S)-2-fluoro-2-(hydroxymethyl)oxane-3,4,5-triol
CID 78226014
2,2,3,3-tetrafluoro-1,4-dioxane
CID 12581607
4,4,5,6,7,7-hexafluoro-1,3,2-dioxathiepane
CID 89312221
5-fluoro-5-methyl-1,3-dioxolan-4-ol
CID 175877515

Frequently Asked Questions

What is the IUPAC name of 2,2,5-trifluoro-1,3-dioxane?
The IUPAC name of 2,2,5-trifluoro-1,3-dioxane (CID 154222537) is 2,2,5-trifluoro-1,3-dioxane.
What is the SMILES notation for 2,2,5-trifluoro-1,3-dioxane?
The canonical SMILES for 2,2,5-trifluoro-1,3-dioxane is FC1COC(F)(F)OC1.
What is the InChIKey of 2,2,5-trifluoro-1,3-dioxane?
The InChIKey is SGYBROJNRVLELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3O2/c5-3-1-8-4(6,7)9-2-3/h3H,1-2H2.
What are the key properties of 2,2,5-trifluoro-1,3-dioxane?
2,2,5-trifluoro-1,3-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 2,2,5-trifluoro-1,3-dioxane is sourced from PubChem (CID 154222537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).