2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane

C4H2F6O3 — CID 134823995

IUPAC2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane
SMILESFC1OC(F)(F)OC1OC(F)(F)F
InChIInChI=1S/C4H2F6O3/c5-1-2(12-3(6,7)8)13-4(9,10)11-1/h1-2H
InChIKeyHLRCUMCXPAACKV-UHFFFAOYSA-N
MW212.05 g/mol
LogP1.74
Rot. Bonds1

About 2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane

2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane (PubChem CID 134823995) has the molecular formula C4H2F6O3 and a molecular weight of 212.05 g/mol. Its IUPAC name is 2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane.

Molecular Properties

Compound Name2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane
PubChem CID134823995
Molecular FormulaC4H2F6O3
Molecular Weight212.05 g/mol
Exact Mass211.99
IUPAC Name2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane
SMILESFC1OC(F)(F)OC1OC(F)(F)F
InChIInChI=1S/C4H2F6O3/c5-1-2(12-3(6,7)8)13-4(9,10)11-1/h1-2H
InChIKeyHLRCUMCXPAACKV-UHFFFAOYSA-N
XLogP1.74
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.05
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane with MolForge

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

Launch Full Analysis

Related Compounds

2-(Heptafluoropropyl)-1,3-dioxolane
CID 86154818
2-(Trifluoromethyl)-1,3-dioxolane
CID 3642049
2,2,4,5-Tetrafluoro-1,3-dioxolane
CID 151605
Tetrafluorodioxolane
CID 12846006
2-(2,2,2-Trifluoroethyl)-1,3-dioxolane
CID 14066883
4,4,5-Trifluoro-2,5-bis(trifluoromethyl)-1,3-dioxolane
CID 14297350
2-(Trifluoromethyl)-4,4,5,5-tetrafluoro-1,3-dioxolane
CID 11264349
4,4,5,5-Tetrafluoro-2-methyl-1,3-dioxolane
CID 12846007
2,4,4,5,5-Pentafluoro-1,3-dioxolane
CID 12846016
2,4-Difluoro-5-(trifluoromethyl)-1,3-dioxolane
CID 17876705
4,5-Difluoro-4-(trifluoromethyl)-1,3-dioxolane
CID 17876712
2-Fluoro-2-(trifluoromethyl)-1,3-dioxolane
CID 18923917

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane?
The IUPAC name of 2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane (CID 134823995) is 2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane.
What is the SMILES notation for 2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane?
The canonical SMILES for 2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane is FC1OC(F)(F)OC1OC(F)(F)F.
What is the InChIKey of 2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane?
The InChIKey is HLRCUMCXPAACKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F6O3/c5-1-2(12-3(6,7)8)13-4(9,10)11-1/h1-2H.
What are the key properties of 2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane?
2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane has a molecular weight of 212.05 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane is sourced from PubChem (CID 134823995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).