1,1,1,2,2-pentafluoro-2-(1,1,2-trifluoroethoxymethoxy)ethane

C5H4F8O2 — CID 59434569

IUPAC1,1,1,2,2-pentafluoro-2-(1,1,2-trifluoroethoxymethoxy)ethane
SMILESFCC(F)(F)OCOC(F)(F)C(F)(F)F
InChIInChI=1S/C5H4F8O2/c6-1-3(7,8)14-2-15-5(12,13)4(9,10)11/h1-2H2
InChIKeyDDYNIXYXGCGFNZ-UHFFFAOYSA-N
MW248.07 g/mol
LogP2.69
Rot. Bonds5

About 1,1,1,2,2-pentafluoro-2-(1,1,2-trifluoroethoxymethoxy)ethane

1,1,1,2,2-pentafluoro-2-(1,1,2-trifluoroethoxymethoxy)ethane (PubChem CID 59434569) has the molecular formula C5H4F8O2 and a molecular weight of 248.07 g/mol. Its IUPAC name is 1,1,1,2,2-pentafluoro-2-(1,1,2-trifluoroethoxymethoxy)ethane.

Molecular Properties

Compound Name1,1,1,2,2-pentafluoro-2-(1,1,2-trifluoroethoxymethoxy)ethane
PubChem CID59434569
Molecular FormulaC5H4F8O2
Molecular Weight248.07 g/mol
Exact Mass248.01
IUPAC Name1,1,1,2,2-pentafluoro-2-(1,1,2-trifluoroethoxymethoxy)ethane
SMILESFCC(F)(F)OCOC(F)(F)C(F)(F)F
InChIInChI=1S/C5H4F8O2/c6-1-3(7,8)14-2-15-5(12,13)4(9,10)11/h1-2H2
InChIKeyDDYNIXYXGCGFNZ-UHFFFAOYSA-N
XLogP2.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.07
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

Tris(2,2,2-trifluoroethyl)orthoformate
CID 3685970
Bis(2,2,2-trifluoroethoxy)methane
CID 11367834
1,1,2,2,8,8,9,9-Octafluoro-4,6-dioxanonane
CID 12839497
1,1,1-Trifluoro-2-(methoxymethoxy)ethane
CID 53788284
2-[Difluoro(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane
CID 14203789
1,1,1,2,3,3-Hexafluoro-2-(fluoromethoxymethoxy)propane
CID 18974573
1,1,1,2,3,3-Hexafluoro-2-(methoxymethoxy)propane
CID 18974574
1,1-Difluoro-1-(methoxymethoxy)ethane
CID 21052055
1,1,2,2-Tetrafluoro-1-(1,1,2-trifluoroethoxymethoxy)propane
CID 22094284
1,1,1-Trifluoro-2,2,2-tris(fluoromethoxy)ethane
CID 22495104
1,1,1,2-Tetrafluoro-2,2-bis(fluoromethoxy)ethane
CID 22495110
2,2,2-Trifluoroethoxymethyl hypofluorite
CID 22975857

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2-pentafluoro-2-(1,1,2-trifluoroethoxymethoxy)ethane?
The IUPAC name of 1,1,1,2,2-pentafluoro-2-(1,1,2-trifluoroethoxymethoxy)ethane (CID 59434569) is 1,1,1,2,2-pentafluoro-2-(1,1,2-trifluoroethoxymethoxy)ethane.
What is the SMILES notation for 1,1,1,2,2-pentafluoro-2-(1,1,2-trifluoroethoxymethoxy)ethane?
The canonical SMILES for 1,1,1,2,2-pentafluoro-2-(1,1,2-trifluoroethoxymethoxy)ethane is FCC(F)(F)OCOC(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2-pentafluoro-2-(1,1,2-trifluoroethoxymethoxy)ethane?
The InChIKey is DDYNIXYXGCGFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F8O2/c6-1-3(7,8)14-2-15-5(12,13)4(9,10)11/h1-2H2.
What are the key properties of 1,1,1,2,2-pentafluoro-2-(1,1,2-trifluoroethoxymethoxy)ethane?
1,1,1,2,2-pentafluoro-2-(1,1,2-trifluoroethoxymethoxy)ethane has a molecular weight of 248.07 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2-pentafluoro-2-(1,1,2-trifluoroethoxymethoxy)ethane is sourced from PubChem (CID 59434569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).