2-[2-[2-(carboxymethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]acetic acid

C8H6F8O7 — CID 102362717

IUPAC2-[2-[2-(carboxymethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]acetic acid
SMILESO=C(O)COC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OCC(=O)O
InChIInChI=1S/C8H6F8O7/c9-5(10,21-1-3(17)18)7(13,14)23-8(15,16)6(11,12)22-2-4(19)20/h1-2H2,(H,17,18)(H,19,20)
InChIKeyOYVHLPQTLWSEBM-UHFFFAOYSA-N
MW366.11 g/mol
LogP1.58
Rot. Bonds10

About 2-[2-[2-(carboxymethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]acetic acid

2-[2-[2-(carboxymethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]acetic acid (PubChem CID 102362717) has the molecular formula C8H6F8O7 and a molecular weight of 366.11 g/mol. Its IUPAC name is 2-[2-[2-(carboxymethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(carboxymethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]acetic acid
PubChem CID102362717
Molecular FormulaC8H6F8O7
Molecular Weight366.11 g/mol
Exact Mass366.00
IUPAC Name2-[2-[2-(carboxymethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]acetic acid
SMILESO=C(O)COC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OCC(=O)O
InChIInChI=1S/C8H6F8O7/c9-5(10,21-1-3(17)18)7(13,14)23-8(15,16)6(11,12)22-2-4(19)20/h1-2H2,(H,17,18)(H,19,20)
InChIKeyOYVHLPQTLWSEBM-UHFFFAOYSA-N
XLogP1.58
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.11
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-[2-(carboxymethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]acetic acid?
The IUPAC name of 2-[2-[2-(carboxymethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]acetic acid (CID 102362717) is 2-[2-[2-(carboxymethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-(carboxymethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-(carboxymethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]acetic acid is O=C(O)COC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OCC(=O)O.
What is the InChIKey of 2-[2-[2-(carboxymethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]acetic acid?
The InChIKey is OYVHLPQTLWSEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F8O7/c9-5(10,21-1-3(17)18)7(13,14)23-8(15,16)6(11,12)22-2-4(19)20/h1-2H2,(H,17,18)(H,19,20).
What are the key properties of 2-[2-[2-(carboxymethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]acetic acid?
2-[2-[2-(carboxymethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]acetic acid has a molecular weight of 366.11 g/mol, XLogP of 1.58, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(carboxymethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]acetic acid is sourced from PubChem (CID 102362717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).