2,2,5,5-tetrachloro-3,3,4,4-tetrafluorooxolane

C4Cl4F4O — CID 24973087

IUPAC2,2,5,5-tetrachloro-3,3,4,4-tetrafluorooxolane
SMILESFC1(F)C(Cl)(Cl)OC(Cl)(Cl)C1(F)F
InChIInChI=1S/C4Cl4F4O/c5-3(6)1(9,10)2(11,12)4(7,8)13-3
InChIKeyLOYUBXDRXCEDLQ-UHFFFAOYSA-N
MW281.85 g/mol
LogP3.55
Rot. Bonds

About 2,2,5,5-tetrachloro-3,3,4,4-tetrafluorooxolane

2,2,5,5-tetrachloro-3,3,4,4-tetrafluorooxolane (PubChem CID 24973087) has the molecular formula C4Cl4F4O and a molecular weight of 281.85 g/mol. Its IUPAC name is 2,2,5,5-tetrachloro-3,3,4,4-tetrafluorooxolane.

Molecular Properties

Compound Name2,2,5,5-tetrachloro-3,3,4,4-tetrafluorooxolane
PubChem CID24973087
Molecular FormulaC4Cl4F4O
Molecular Weight281.85 g/mol
Exact Mass279.86
IUPAC Name2,2,5,5-tetrachloro-3,3,4,4-tetrafluorooxolane
SMILESFC1(F)C(Cl)(Cl)OC(Cl)(Cl)C1(F)F
InChIInChI=1S/C4Cl4F4O/c5-3(6)1(9,10)2(11,12)4(7,8)13-3
InChIKeyLOYUBXDRXCEDLQ-UHFFFAOYSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.85
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetrachloro-3,3,4,4-tetrafluorooxolane?
The IUPAC name of 2,2,5,5-tetrachloro-3,3,4,4-tetrafluorooxolane (CID 24973087) is 2,2,5,5-tetrachloro-3,3,4,4-tetrafluorooxolane.
What is the SMILES notation for 2,2,5,5-tetrachloro-3,3,4,4-tetrafluorooxolane?
The canonical SMILES for 2,2,5,5-tetrachloro-3,3,4,4-tetrafluorooxolane is FC1(F)C(Cl)(Cl)OC(Cl)(Cl)C1(F)F.
What is the InChIKey of 2,2,5,5-tetrachloro-3,3,4,4-tetrafluorooxolane?
The InChIKey is LOYUBXDRXCEDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4Cl4F4O/c5-3(6)1(9,10)2(11,12)4(7,8)13-3.
What are the key properties of 2,2,5,5-tetrachloro-3,3,4,4-tetrafluorooxolane?
2,2,5,5-tetrachloro-3,3,4,4-tetrafluorooxolane has a molecular weight of 281.85 g/mol, XLogP of 3.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetrachloro-3,3,4,4-tetrafluorooxolane is sourced from PubChem (CID 24973087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).