4,4,5-trifluorotrioxane

C3H3F3O3 — CID 162226632

IUPAC4,4,5-trifluorotrioxane
SMILESFC1COOOC1(F)F
InChIInChI=1S/C3H3F3O3/c4-2-1-7-9-8-3(2,5)6/h2H,1H2
InChIKeyUJZZJNAPCQKWDH-UHFFFAOYSA-N
MW144.05 g/mol
LogP0.81
Rot. Bonds

About 4,4,5-trifluorotrioxane

4,4,5-trifluorotrioxane (PubChem CID 162226632) has the molecular formula C3H3F3O3 and a molecular weight of 144.05 g/mol. Its IUPAC name is 4,4,5-trifluorotrioxane.

Molecular Properties

Compound Name4,4,5-trifluorotrioxane
PubChem CID162226632
Molecular FormulaC3H3F3O3
Molecular Weight144.05 g/mol
Exact Mass144.00
IUPAC Name4,4,5-trifluorotrioxane
SMILESFC1COOOC1(F)F
InChIInChI=1S/C3H3F3O3/c4-2-1-7-9-8-3(2,5)6/h2H,1H2
InChIKeyUJZZJNAPCQKWDH-UHFFFAOYSA-N
XLogP0.81
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.05
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2,2,5-trifluoro-1,3-dioxane
CID 154222537
1-chloro-1,2-difluorocyclopropane
CID 69232639
3,3,4-trifluorooxolan-2-one
CID 86218862
5-chlorotrioxane
CID 150169287
4,4,5-trimethyldioxane
CID 23340254
dimethylsilane;1,1,2-trifluorocyclopropane
CID 175494643
2,2,3,5,6,6-hexafluoro-1,4-dioxane
CID 74024068
(1S,5R)-9,9-difluoro-3-oxa-7-azabicyclo[3.3.1]nonane
CID 55279054
7,10-dimethyl-8-oxadispiro[2.0.24.43]decane
CID 163998510
(1S,5S)-9,9-difluoro-3-oxa-7-azabicyclo[3.3.1]nonane
CID 124660379
3,3,6,6-tetrafluorodioxane
CID 45090701
1,2-difluorocyclobutan-1-ol
CID 54197601

Frequently Asked Questions

What is the IUPAC name of 4,4,5-trifluorotrioxane?
The IUPAC name of 4,4,5-trifluorotrioxane (CID 162226632) is 4,4,5-trifluorotrioxane.
What is the SMILES notation for 4,4,5-trifluorotrioxane?
The canonical SMILES for 4,4,5-trifluorotrioxane is FC1COOOC1(F)F.
What is the InChIKey of 4,4,5-trifluorotrioxane?
The InChIKey is UJZZJNAPCQKWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F3O3/c4-2-1-7-9-8-3(2,5)6/h2H,1H2.
What are the key properties of 4,4,5-trifluorotrioxane?
4,4,5-trifluorotrioxane has a molecular weight of 144.05 g/mol, XLogP of 0.81, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5-trifluorotrioxane is sourced from PubChem (CID 162226632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).