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

C6H2F8O5 — CID 11484889

IUPAC2-(2-carboxy-1,1,2,2-tetrafluoroethoxy)-2,3,3,3-tetrafluoropropanoic acid
SMILESO=C(O)C(F)(F)C(F)(F)OC(F)(C(=O)O)C(F)(F)F
InChIInChI=1S/C6H2F8O5/c7-3(8,1(15)16)6(13,14)19-4(9,2(17)18)5(10,11)12/h(H,15,16)(H,17,18)
InChIKeyIWWYDBCKRGDWIN-UHFFFAOYSA-N
MW306.06 g/mol
LogP1.63
Rot. Bonds5

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

2-(2-carboxy-1,1,2,2-tetrafluoroethoxy)-2,3,3,3-tetrafluoropropanoic acid (PubChem CID 11484889) has the molecular formula C6H2F8O5 and a molecular weight of 306.06 g/mol. Its IUPAC name is 2-(2-carboxy-1,1,2,2-tetrafluoroethoxy)-2,3,3,3-tetrafluoropropanoic acid.

Molecular Properties

Compound Name2-(2-carboxy-1,1,2,2-tetrafluoroethoxy)-2,3,3,3-tetrafluoropropanoic acid
PubChem CID11484889
Molecular FormulaC6H2F8O5
Molecular Weight306.06 g/mol
Exact Mass305.98
IUPAC Name2-(2-carboxy-1,1,2,2-tetrafluoroethoxy)-2,3,3,3-tetrafluoropropanoic acid
SMILESO=C(O)C(F)(F)C(F)(F)OC(F)(C(=O)O)C(F)(F)F
InChIInChI=1S/C6H2F8O5/c7-3(8,1(15)16)6(13,14)19-4(9,2(17)18)5(10,11)12/h(H,15,16)(H,17,18)
InChIKeyIWWYDBCKRGDWIN-UHFFFAOYSA-N
XLogP1.63
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.06
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1-carboxy-1,2,2,2-tetrafluoroethoxy)-2,2,3,3,4,4-hexafluorobutanoic acid
CID 58623351
2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoic acid;hydrochloride
CID 88623980
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]propanoic acid
CID 87119578
2,3,3,3-tetrafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propanoic acid;hydrofluoride
CID 88684763
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propanoic acid
CID 102469476
2,2,3,3-tetrafluoro-3-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecoxy)ethoxy]propanoic acid
CID 163324622
2-[[4-[bis(1-carboxy-1,2,2,2-tetrafluoroethoxy)-fluoromethyl]-1,2,2,3,3,4,5,5,6,6-decafluorocyclohexyl]-(1-carboxy-1,2,2,2-tetrafluoroethoxy)-fluoromethoxy]-2,3,3,3-tetrafluoropropanoic acid
CID 89198614
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3-tetrafluoroprop-2-enoxy)propoxy]propoxy]propanoic acid
CID 87472249
azane;2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3,3-pentafluoroprop-2-enoxy)propoxy]propoxy]propanoic acid
CID 174355166
2,2,3,3-tetrafluoro-3-[1,1,2,3,3,3-hexafluoro-2-(1,2,2-trifluoroethenoxy)propoxy]propanoic acid
CID 138394713
Pentafluoropropanoic acid sodium
CID 71650614
3,4,4,4-tetrafluoro-3-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]-2-oxobutanoic acid
CID 139831264

Frequently Asked Questions

What is the IUPAC name of 2-(2-carboxy-1,1,2,2-tetrafluoroethoxy)-2,3,3,3-tetrafluoropropanoic acid?
The IUPAC name of 2-(2-carboxy-1,1,2,2-tetrafluoroethoxy)-2,3,3,3-tetrafluoropropanoic acid (CID 11484889) is 2-(2-carboxy-1,1,2,2-tetrafluoroethoxy)-2,3,3,3-tetrafluoropropanoic acid.
What is the SMILES notation for 2-(2-carboxy-1,1,2,2-tetrafluoroethoxy)-2,3,3,3-tetrafluoropropanoic acid?
The canonical SMILES for 2-(2-carboxy-1,1,2,2-tetrafluoroethoxy)-2,3,3,3-tetrafluoropropanoic acid is O=C(O)C(F)(F)C(F)(F)OC(F)(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-(2-carboxy-1,1,2,2-tetrafluoroethoxy)-2,3,3,3-tetrafluoropropanoic acid?
The InChIKey is IWWYDBCKRGDWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F8O5/c7-3(8,1(15)16)6(13,14)19-4(9,2(17)18)5(10,11)12/h(H,15,16)(H,17,18).
What are the key properties of 2-(2-carboxy-1,1,2,2-tetrafluoroethoxy)-2,3,3,3-tetrafluoropropanoic acid?
2-(2-carboxy-1,1,2,2-tetrafluoroethoxy)-2,3,3,3-tetrafluoropropanoic acid has a molecular weight of 306.06 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carboxy-1,1,2,2-tetrafluoroethoxy)-2,3,3,3-tetrafluoropropanoic acid is sourced from PubChem (CID 11484889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).