4,4,5,5-tetrafluoro-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride

C5F8O3 — CID 20816548

IUPAC4,4,5,5-tetrafluoro-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride
SMILESO=C(F)C1(C(F)(F)F)OC(F)(F)C(F)(F)O1
InChIInChI=1S/C5F8O3/c6-1(14)2(3(7,8)9)15-4(10,11)5(12,13)16-2
InChIKeyCKQCLLQGFWHLHV-UHFFFAOYSA-N
MW260.04 g/mol
LogP1.97
Rot. Bonds1

About 4,4,5,5-tetrafluoro-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride

4,4,5,5-tetrafluoro-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride (PubChem CID 20816548) has the molecular formula C5F8O3 and a molecular weight of 260.04 g/mol. Its IUPAC name is 4,4,5,5-tetrafluoro-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride.

Molecular Properties

Compound Name4,4,5,5-tetrafluoro-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride
PubChem CID20816548
Molecular FormulaC5F8O3
Molecular Weight260.04 g/mol
Exact Mass259.97
IUPAC Name4,4,5,5-tetrafluoro-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride
SMILESO=C(F)C1(C(F)(F)F)OC(F)(F)C(F)(F)O1
InChIInChI=1S/C5F8O3/c6-1(14)2(3(7,8)9)15-4(10,11)5(12,13)16-2
InChIKeyCKQCLLQGFWHLHV-UHFFFAOYSA-N
XLogP1.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.04
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,4,5,5-tetrafluoro-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride 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 4,4,5,5-tetrafluoro-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride?
The IUPAC name of 4,4,5,5-tetrafluoro-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride (CID 20816548) is 4,4,5,5-tetrafluoro-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride.
What is the SMILES notation for 4,4,5,5-tetrafluoro-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride?
The canonical SMILES for 4,4,5,5-tetrafluoro-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride is O=C(F)C1(C(F)(F)F)OC(F)(F)C(F)(F)O1.
What is the InChIKey of 4,4,5,5-tetrafluoro-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride?
The InChIKey is CKQCLLQGFWHLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5F8O3/c6-1(14)2(3(7,8)9)15-4(10,11)5(12,13)16-2.
What are the key properties of 4,4,5,5-tetrafluoro-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride?
4,4,5,5-tetrafluoro-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride has a molecular weight of 260.04 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetrafluoro-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride is sourced from PubChem (CID 20816548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).