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

C5H3F7O4 — CID 71425835

IUPAC2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid
SMILESO=C(O)COC(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C5H3F7O4/c6-3(7,15-1-2(13)14)4(8,9)16-5(10,11)12/h1H2,(H,13,14)
InChIKeyUAYQEKBPFNNGSX-UHFFFAOYSA-N
MW260.06 g/mol
LogP1.81
Rot. Bonds5

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

2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid (PubChem CID 71425835) has the molecular formula C5H3F7O4 and a molecular weight of 260.06 g/mol. Its IUPAC name is 2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid
PubChem CID71425835
Molecular FormulaC5H3F7O4
Molecular Weight260.06 g/mol
Exact Mass259.99
IUPAC Name2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid
SMILESO=C(O)COC(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C5H3F7O4/c6-3(7,15-1-2(13)14)4(8,9)16-5(10,11)12/h1H2,(H,13,14)
InChIKeyUAYQEKBPFNNGSX-UHFFFAOYSA-N
XLogP1.81
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.06
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid?
The IUPAC name of 2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid (CID 71425835) is 2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid.
What is the SMILES notation for 2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid?
The canonical SMILES for 2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid is O=C(O)COC(F)(F)C(F)(F)OC(F)(F)F.
What is the InChIKey of 2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid?
The InChIKey is UAYQEKBPFNNGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F7O4/c6-3(7,15-1-2(13)14)4(8,9)16-5(10,11)12/h1H2,(H,13,14).
What are the key properties of 2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid?
2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid has a molecular weight of 260.06 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid is sourced from PubChem (CID 71425835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).