1,1,2-trifluoro-1,2,2-tris(fluoromethoxy)ethane

C5H6F6O3 — CID 22495108

IUPAC1,1,2-trifluoro-1,2,2-tris(fluoromethoxy)ethane
SMILESFCOC(F)(F)C(F)(OCF)OCF
InChIInChI=1S/C5H6F6O3/c6-1-12-4(9,10)5(11,13-2-7)14-3-8/h1-3H2
InChIKeyCFKJGXSVFDXSOD-UHFFFAOYSA-N
MW228.09 g/mol
LogP2.03
Rot. Bonds7

About 1,1,2-trifluoro-1,2,2-tris(fluoromethoxy)ethane

1,1,2-trifluoro-1,2,2-tris(fluoromethoxy)ethane (PubChem CID 22495108) has the molecular formula C5H6F6O3 and a molecular weight of 228.09 g/mol. Its IUPAC name is 1,1,2-trifluoro-1,2,2-tris(fluoromethoxy)ethane.

Molecular Properties

Compound Name1,1,2-trifluoro-1,2,2-tris(fluoromethoxy)ethane
PubChem CID22495108
Molecular FormulaC5H6F6O3
Molecular Weight228.09 g/mol
Exact Mass228.02
IUPAC Name1,1,2-trifluoro-1,2,2-tris(fluoromethoxy)ethane
SMILESFCOC(F)(F)C(F)(OCF)OCF
InChIInChI=1S/C5H6F6O3/c6-1-12-4(9,10)5(11,13-2-7)14-3-8/h1-3H2
InChIKeyCFKJGXSVFDXSOD-UHFFFAOYSA-N
XLogP2.03
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoro-1,2,2-tris(fluoromethoxy)ethane?
The IUPAC name of 1,1,2-trifluoro-1,2,2-tris(fluoromethoxy)ethane (CID 22495108) is 1,1,2-trifluoro-1,2,2-tris(fluoromethoxy)ethane.
What is the SMILES notation for 1,1,2-trifluoro-1,2,2-tris(fluoromethoxy)ethane?
The canonical SMILES for 1,1,2-trifluoro-1,2,2-tris(fluoromethoxy)ethane is FCOC(F)(F)C(F)(OCF)OCF.
What is the InChIKey of 1,1,2-trifluoro-1,2,2-tris(fluoromethoxy)ethane?
The InChIKey is CFKJGXSVFDXSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F6O3/c6-1-12-4(9,10)5(11,13-2-7)14-3-8/h1-3H2.
What are the key properties of 1,1,2-trifluoro-1,2,2-tris(fluoromethoxy)ethane?
1,1,2-trifluoro-1,2,2-tris(fluoromethoxy)ethane has a molecular weight of 228.09 g/mol, XLogP of 2.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoro-1,2,2-tris(fluoromethoxy)ethane is sourced from PubChem (CID 22495108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).