3-[2-(2-carboxy-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoropropanoic acid

C8H2F12O6 — CID 87176097

IUPAC3-[2-(2-carboxy-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoropropanoic acid
SMILESO=C(O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(=O)O
InChIInChI=1S/C8H2F12O6/c9-3(10,1(21)22)5(13,14)25-7(17,18)8(19,20)26-6(15,16)4(11,12)2(23)24/h(H,21,22)(H,23,24)
InChIKeyKQEIVOMVJGDVEA-UHFFFAOYSA-N
MW422.07 g/mol
LogP2.83
Rot. Bonds9

About 3-[2-(2-carboxy-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoropropanoic acid

3-[2-(2-carboxy-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoropropanoic acid (PubChem CID 87176097) has the molecular formula C8H2F12O6 and a molecular weight of 422.07 g/mol. Its IUPAC name is 3-[2-(2-carboxy-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoropropanoic acid.

Molecular Properties

Compound Name3-[2-(2-carboxy-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoropropanoic acid
PubChem CID87176097
Molecular FormulaC8H2F12O6
Molecular Weight422.07 g/mol
Exact Mass421.97
IUPAC Name3-[2-(2-carboxy-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoropropanoic acid
SMILESO=C(O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(=O)O
InChIInChI=1S/C8H2F12O6/c9-3(10,1(21)22)5(13,14)25-7(17,18)8(19,20)26-6(15,16)4(11,12)2(23)24/h(H,21,22)(H,23,24)
InChIKeyKQEIVOMVJGDVEA-UHFFFAOYSA-N
XLogP2.83
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.07
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 3-[2-(2-carboxy-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoropropanoic acid?
The IUPAC name of 3-[2-(2-carboxy-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoropropanoic acid (CID 87176097) is 3-[2-(2-carboxy-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoropropanoic acid.
What is the SMILES notation for 3-[2-(2-carboxy-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoropropanoic acid?
The canonical SMILES for 3-[2-(2-carboxy-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoropropanoic acid is O=C(O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(=O)O.
What is the InChIKey of 3-[2-(2-carboxy-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoropropanoic acid?
The InChIKey is KQEIVOMVJGDVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F12O6/c9-3(10,1(21)22)5(13,14)25-7(17,18)8(19,20)26-6(15,16)4(11,12)2(23)24/h(H,21,22)(H,23,24).
What are the key properties of 3-[2-(2-carboxy-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoropropanoic acid?
3-[2-(2-carboxy-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoropropanoic acid has a molecular weight of 422.07 g/mol, XLogP of 2.83, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-carboxy-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoropropanoic acid is sourced from PubChem (CID 87176097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).