4-bromo-2,2,4,5,5-pentafluoro-1,3-dioxolane

C3BrF5O2 — CID 19745410

IUPAC4-bromo-2,2,4,5,5-pentafluoro-1,3-dioxolane
SMILESFC1(F)OC(F)(F)C(F)(Br)O1
InChIInChI=1S/C3BrF5O2/c4-1(5)2(6,7)11-3(8,9)10-1
InChIKeyNXLXFHZYHUZPPQ-UHFFFAOYSA-N
MW242.92 g/mol
LogP2.19
Rot. Bonds

About 4-bromo-2,2,4,5,5-pentafluoro-1,3-dioxolane

4-bromo-2,2,4,5,5-pentafluoro-1,3-dioxolane (PubChem CID 19745410) has the molecular formula C3BrF5O2 and a molecular weight of 242.92 g/mol. Its IUPAC name is 4-bromo-2,2,4,5,5-pentafluoro-1,3-dioxolane.

Molecular Properties

Compound Name4-bromo-2,2,4,5,5-pentafluoro-1,3-dioxolane
PubChem CID19745410
Molecular FormulaC3BrF5O2
Molecular Weight242.92 g/mol
Exact Mass241.90
IUPAC Name4-bromo-2,2,4,5,5-pentafluoro-1,3-dioxolane
SMILESFC1(F)OC(F)(F)C(F)(Br)O1
InChIInChI=1S/C3BrF5O2/c4-1(5)2(6,7)11-3(8,9)10-1
InChIKeyNXLXFHZYHUZPPQ-UHFFFAOYSA-N
XLogP2.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.92
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-bromo-2,2,4,5,5-pentafluoro-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

2,2,4,4,5,5-Hexafluoro-1,3-dioxolane
CID 23234846
4,5-Dibromo-2,2,4,5-tetrafluoro-1,3-dioxolane
CID 11055815
2,2-Dibromo-4,4,5,5-tetrafluoro-1,3-dioxolane
CID 142632714
(4S,5S)-4,5-dibromo-2,2,4,5-tetrafluoro-1,3-dioxolane
CID 10881236

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,2,4,5,5-pentafluoro-1,3-dioxolane?
The IUPAC name of 4-bromo-2,2,4,5,5-pentafluoro-1,3-dioxolane (CID 19745410) is 4-bromo-2,2,4,5,5-pentafluoro-1,3-dioxolane.
What is the SMILES notation for 4-bromo-2,2,4,5,5-pentafluoro-1,3-dioxolane?
The canonical SMILES for 4-bromo-2,2,4,5,5-pentafluoro-1,3-dioxolane is FC1(F)OC(F)(F)C(F)(Br)O1.
What is the InChIKey of 4-bromo-2,2,4,5,5-pentafluoro-1,3-dioxolane?
The InChIKey is NXLXFHZYHUZPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3BrF5O2/c4-1(5)2(6,7)11-3(8,9)10-1.
What are the key properties of 4-bromo-2,2,4,5,5-pentafluoro-1,3-dioxolane?
4-bromo-2,2,4,5,5-pentafluoro-1,3-dioxolane has a molecular weight of 242.92 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,2,4,5,5-pentafluoro-1,3-dioxolane is sourced from PubChem (CID 19745410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).