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

C5H2F8O4 — CID 71425844

IUPAC2-fluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid
SMILESO=C(O)C(F)OC(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C5H2F8O4/c6-1(2(14)15)16-3(7,8)4(9,10)17-5(11,12)13/h1H,(H,14,15)
InChIKeyGHVHGLNEHMMXAV-UHFFFAOYSA-N
MW278.05 g/mol
LogP2.11
Rot. Bonds5

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

2-fluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid (PubChem CID 71425844) has the molecular formula C5H2F8O4 and a molecular weight of 278.05 g/mol. Its IUPAC name is 2-fluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid.

Molecular Properties

Compound Name2-fluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid
PubChem CID71425844
Molecular FormulaC5H2F8O4
Molecular Weight278.05 g/mol
Exact Mass277.98
IUPAC Name2-fluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid
SMILESO=C(O)C(F)OC(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C5H2F8O4/c6-1(2(14)15)16-3(7,8)4(9,10)17-5(11,12)13/h1H,(H,14,15)
InChIKeyGHVHGLNEHMMXAV-UHFFFAOYSA-N
XLogP2.11
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.05
LogP ≤ 52.11
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-fluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid?
The IUPAC name of 2-fluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid (CID 71425844) is 2-fluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid.
What is the SMILES notation for 2-fluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid?
The canonical SMILES for 2-fluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid is O=C(O)C(F)OC(F)(F)C(F)(F)OC(F)(F)F.
What is the InChIKey of 2-fluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid?
The InChIKey is GHVHGLNEHMMXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F8O4/c6-1(2(14)15)16-3(7,8)4(9,10)17-5(11,12)13/h1H,(H,14,15).
What are the key properties of 2-fluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid?
2-fluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid has a molecular weight of 278.05 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid is sourced from PubChem (CID 71425844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).