2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]acetic acid

C7H3F11O4 — CID 162396578

IUPAC2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]acetic acid
SMILESO=C(O)COC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H3F11O4/c8-3(9,4(10,11)12)5(13,14)22-7(17,18)6(15,16)21-1-2(19)20/h1H2,(H,19,20)
InChIKeyQLRRNFFYOHDQOQ-UHFFFAOYSA-N
MW360.08 g/mol
LogP3.08
Rot. Bonds7

About 2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]acetic acid

2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]acetic acid (PubChem CID 162396578) has the molecular formula C7H3F11O4 and a molecular weight of 360.08 g/mol. Its IUPAC name is 2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]acetic acid
PubChem CID162396578
Molecular FormulaC7H3F11O4
Molecular Weight360.08 g/mol
Exact Mass359.99
IUPAC Name2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]acetic acid
SMILESO=C(O)COC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H3F11O4/c8-3(9,4(10,11)12)5(13,14)22-7(17,18)6(15,16)21-1-2(19)20/h1H2,(H,19,20)
InChIKeyQLRRNFFYOHDQOQ-UHFFFAOYSA-N
XLogP3.08
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.08
LogP ≤ 53.08
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-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]acetic acid?
The IUPAC name of 2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]acetic acid (CID 162396578) is 2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]acetic acid.
What is the SMILES notation for 2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]acetic acid?
The canonical SMILES for 2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]acetic acid is O=C(O)COC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]acetic acid?
The InChIKey is QLRRNFFYOHDQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F11O4/c8-3(9,4(10,11)12)5(13,14)22-7(17,18)6(15,16)21-1-2(19)20/h1H2,(H,19,20).
What are the key properties of 2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]acetic acid?
2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]acetic acid has a molecular weight of 360.08 g/mol, XLogP of 3.08, 7 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-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]acetic acid is sourced from PubChem (CID 162396578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).