2-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]acetic acid

C5H4F6O4 — CID 71425837

IUPAC2-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]acetic acid
SMILESO=C(O)COC(F)(F)C(F)OC(F)(F)F
InChIInChI=1S/C5H4F6O4/c6-3(15-5(9,10)11)4(7,8)14-1-2(12)13/h3H,1H2,(H,12,13)
InChIKeyFLTHVWFEQOTAII-UHFFFAOYSA-N
MW242.07 g/mol
LogP1.51
Rot. Bonds5

About 2-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]acetic acid

2-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]acetic acid (PubChem CID 71425837) has the molecular formula C5H4F6O4 and a molecular weight of 242.07 g/mol. Its IUPAC name is 2-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]acetic acid
PubChem CID71425837
Molecular FormulaC5H4F6O4
Molecular Weight242.07 g/mol
Exact Mass242.00
IUPAC Name2-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]acetic acid
SMILESO=C(O)COC(F)(F)C(F)OC(F)(F)F
InChIInChI=1S/C5H4F6O4/c6-3(15-5(9,10)11)4(7,8)14-1-2(12)13/h3H,1H2,(H,12,13)
InChIKeyFLTHVWFEQOTAII-UHFFFAOYSA-N
XLogP1.51
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.07
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]acetic acid?
The IUPAC name of 2-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]acetic acid (CID 71425837) is 2-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]acetic acid.
What is the SMILES notation for 2-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]acetic acid?
The canonical SMILES for 2-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]acetic acid is O=C(O)COC(F)(F)C(F)OC(F)(F)F.
What is the InChIKey of 2-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]acetic acid?
The InChIKey is FLTHVWFEQOTAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F6O4/c6-3(15-5(9,10)11)4(7,8)14-1-2(12)13/h3H,1H2,(H,12,13).
What are the key properties of 2-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]acetic acid?
2-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]acetic acid has a molecular weight of 242.07 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]acetic acid is sourced from PubChem (CID 71425837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).