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

C3HF5O2 — CID 12846016

IUPAC2,4,4,5,5-pentafluoro-1,3-dioxolane
SMILESFC1OC(F)(F)C(F)(F)O1
InChIInChI=1S/C3HF5O2/c4-1-9-2(5,6)3(7,8)10-1/h1H
InChIKeyDYRQUDSCLHNQRX-UHFFFAOYSA-N
MW164.03 g/mol
LogP1.47
Rot. Bonds

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

2,4,4,5,5-pentafluoro-1,3-dioxolane (PubChem CID 12846016) has the molecular formula C3HF5O2 and a molecular weight of 164.03 g/mol. Its IUPAC name is 2,4,4,5,5-pentafluoro-1,3-dioxolane.

Molecular Properties

Compound Name2,4,4,5,5-pentafluoro-1,3-dioxolane
PubChem CID12846016
Molecular FormulaC3HF5O2
Molecular Weight164.03 g/mol
Exact Mass163.99
IUPAC Name2,4,4,5,5-pentafluoro-1,3-dioxolane
SMILESFC1OC(F)(F)C(F)(F)O1
InChIInChI=1S/C3HF5O2/c4-1-9-2(5,6)3(7,8)10-1/h1H
InChIKeyDYRQUDSCLHNQRX-UHFFFAOYSA-N
XLogP1.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.03
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,4,4,5,5-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

Frequently Asked Questions

What is the IUPAC name of 2,4,4,5,5-pentafluoro-1,3-dioxolane?
The IUPAC name of 2,4,4,5,5-pentafluoro-1,3-dioxolane (CID 12846016) is 2,4,4,5,5-pentafluoro-1,3-dioxolane.
What is the SMILES notation for 2,4,4,5,5-pentafluoro-1,3-dioxolane?
The canonical SMILES for 2,4,4,5,5-pentafluoro-1,3-dioxolane is FC1OC(F)(F)C(F)(F)O1.
What is the InChIKey of 2,4,4,5,5-pentafluoro-1,3-dioxolane?
The InChIKey is DYRQUDSCLHNQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF5O2/c4-1-9-2(5,6)3(7,8)10-1/h1H.
What are the key properties of 2,4,4,5,5-pentafluoro-1,3-dioxolane?
2,4,4,5,5-pentafluoro-1,3-dioxolane has a molecular weight of 164.03 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,5,5-pentafluoro-1,3-dioxolane is sourced from PubChem (CID 12846016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).