2,4,4,5,5-pentafluoro-2-(trifluoromethyl)-1,3-dioxolane

C4F8O2 — CID 73057112

IUPAC2,4,4,5,5-pentafluoro-2-(trifluoromethyl)-1,3-dioxolane
SMILESFC(F)(F)C1(F)OC(F)(F)C(F)(F)O1
InChIInChI=1S/C4F8O2/c5-1(6,7)4(12)13-2(8,9)3(10,11)14-4
InChIKeyYQFHFRGYILFKMJ-UHFFFAOYSA-N
MW232.03 g/mol
LogP2.40
Rot. Bonds

About 2,4,4,5,5-pentafluoro-2-(trifluoromethyl)-1,3-dioxolane

2,4,4,5,5-pentafluoro-2-(trifluoromethyl)-1,3-dioxolane (PubChem CID 73057112) has the molecular formula C4F8O2 and a molecular weight of 232.03 g/mol. Its IUPAC name is 2,4,4,5,5-pentafluoro-2-(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2,4,4,5,5-pentafluoro-2-(trifluoromethyl)-1,3-dioxolane
PubChem CID73057112
Molecular FormulaC4F8O2
Molecular Weight232.03 g/mol
Exact Mass231.98
IUPAC Name2,4,4,5,5-pentafluoro-2-(trifluoromethyl)-1,3-dioxolane
SMILESFC(F)(F)C1(F)OC(F)(F)C(F)(F)O1
InChIInChI=1S/C4F8O2/c5-1(6,7)4(12)13-2(8,9)3(10,11)14-4
InChIKeyYQFHFRGYILFKMJ-UHFFFAOYSA-N
XLogP2.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.03
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,4,4,5,5-Hexafluoro-1,3-dioxolane
CID 23234846
1,3-Dioxolane, 4,4,5,5-tetrafluoro-2,2-bis(trifluoromethyl)-
CID 182427
2,2,4,4,5-Pentafluoro-5-(1,1,2,2,2-pentafluoroethoxy)-1,3-dioxolane
CID 10924481
Perfluoro-4-methyl-1,3-dioxolane
CID 11053484
2-(Difluoromethylene)-4,4,5,5-tetrafluoro-1,3-dioxolane
CID 22283745
Fomblin z-15
CID 12837400
2,4,4,5,5-Pentafluoro-2-methyl-1,3-dioxolane
CID 12846017
2,4,4,5-Tetrafluoro-2,5-bis(trifluoromethyl)-1,3-dioxolane
CID 19745408
4,4,5-Trifluoro-2,2,5-tris(trifluoromethyl)-1,3-dioxolane
CID 23183649
4-(Difluoromethoxy)-2,2,4,5,5-pentafluoro-1,3-dioxolane
CID 89113198
[2-(Difluoromethylidene)-4,5,5-trifluoro-1,3-dioxolan-4-yl] hypofluorite
CID 140600439
2,4,4,5-Tetrafluoro-5-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)-1,3-dioxolane
CID 153535396

Frequently Asked Questions

What is the IUPAC name of 2,4,4,5,5-pentafluoro-2-(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 2,4,4,5,5-pentafluoro-2-(trifluoromethyl)-1,3-dioxolane (CID 73057112) is 2,4,4,5,5-pentafluoro-2-(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 2,4,4,5,5-pentafluoro-2-(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 2,4,4,5,5-pentafluoro-2-(trifluoromethyl)-1,3-dioxolane is FC(F)(F)C1(F)OC(F)(F)C(F)(F)O1.
What is the InChIKey of 2,4,4,5,5-pentafluoro-2-(trifluoromethyl)-1,3-dioxolane?
The InChIKey is YQFHFRGYILFKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F8O2/c5-1(6,7)4(12)13-2(8,9)3(10,11)14-4.
What are the key properties of 2,4,4,5,5-pentafluoro-2-(trifluoromethyl)-1,3-dioxolane?
2,4,4,5,5-pentafluoro-2-(trifluoromethyl)-1,3-dioxolane has a molecular weight of 232.03 g/mol, XLogP of 2.40, 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-2-(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 73057112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).