2,2,4,4-tetrafluoro-1,3-dioxane-5,5-diol

C4H4F4O4 — CID 89164183

IUPAC2,2,4,4-tetrafluoro-1,3-dioxane-5,5-diol
SMILESOC1(O)COC(F)(F)OC1(F)F
InChIInChI=1S/C4H4F4O4/c5-3(6)2(9,10)1-11-4(7,8)12-3/h9-10H,1H2
InChIKeyFIFXLXRNKWWHSH-UHFFFAOYSA-N
MW192.06 g/mol
LogP-0.14
Rot. Bonds

About 2,2,4,4-tetrafluoro-1,3-dioxane-5,5-diol

2,2,4,4-tetrafluoro-1,3-dioxane-5,5-diol (PubChem CID 89164183) has the molecular formula C4H4F4O4 and a molecular weight of 192.06 g/mol. Its IUPAC name is 2,2,4,4-tetrafluoro-1,3-dioxane-5,5-diol.

Molecular Properties

Compound Name2,2,4,4-tetrafluoro-1,3-dioxane-5,5-diol
PubChem CID89164183
Molecular FormulaC4H4F4O4
Molecular Weight192.06 g/mol
Exact Mass192.00
IUPAC Name2,2,4,4-tetrafluoro-1,3-dioxane-5,5-diol
SMILESOC1(O)COC(F)(F)OC1(F)F
InChIInChI=1S/C4H4F4O4/c5-3(6)2(9,10)1-11-4(7,8)12-3/h9-10H,1H2
InChIKeyFIFXLXRNKWWHSH-UHFFFAOYSA-N
XLogP-0.14
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.06
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2,2,4,4-tetrafluoro-1,3-dioxane-5,5-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetrafluoro-1,3-dioxane-5,5-diol?
The IUPAC name of 2,2,4,4-tetrafluoro-1,3-dioxane-5,5-diol (CID 89164183) is 2,2,4,4-tetrafluoro-1,3-dioxane-5,5-diol.
What is the SMILES notation for 2,2,4,4-tetrafluoro-1,3-dioxane-5,5-diol?
The canonical SMILES for 2,2,4,4-tetrafluoro-1,3-dioxane-5,5-diol is OC1(O)COC(F)(F)OC1(F)F.
What is the InChIKey of 2,2,4,4-tetrafluoro-1,3-dioxane-5,5-diol?
The InChIKey is FIFXLXRNKWWHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F4O4/c5-3(6)2(9,10)1-11-4(7,8)12-3/h9-10H,1H2.
What are the key properties of 2,2,4,4-tetrafluoro-1,3-dioxane-5,5-diol?
2,2,4,4-tetrafluoro-1,3-dioxane-5,5-diol has a molecular weight of 192.06 g/mol, XLogP of -0.14, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetrafluoro-1,3-dioxane-5,5-diol is sourced from PubChem (CID 89164183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).