2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetic acid

C5H2F8O3 — CID 71425845

IUPAC2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetic acid
SMILESO=C(O)C(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H2F8O3/c6-1(2(14)15)16-5(12,13)3(7,8)4(9,10)11/h1H,(H,14,15)
InChIKeySOPKUPKNOTUECV-UHFFFAOYSA-N
MW262.05 g/mol
LogP2.17
Rot. Bonds4

About 2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetic acid

2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetic acid (PubChem CID 71425845) has the molecular formula C5H2F8O3 and a molecular weight of 262.05 g/mol. Its IUPAC name is 2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetic acid
PubChem CID71425845
Molecular FormulaC5H2F8O3
Molecular Weight262.05 g/mol
Exact Mass261.99
IUPAC Name2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetic acid
SMILESO=C(O)C(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H2F8O3/c6-1(2(14)15)16-5(12,13)3(7,8)4(9,10)11/h1H,(H,14,15)
InChIKeySOPKUPKNOTUECV-UHFFFAOYSA-N
XLogP2.17
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.05
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(1,1,2,2,3,3,3-heptafluoropropoxy)acetic acid?
The IUPAC name of 2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetic acid (CID 71425845) is 2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetic acid.
What is the SMILES notation for 2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetic acid?
The canonical SMILES for 2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetic acid is O=C(O)C(F)OC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetic acid?
The InChIKey is SOPKUPKNOTUECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F8O3/c6-1(2(14)15)16-5(12,13)3(7,8)4(9,10)11/h1H,(H,14,15).
What are the key properties of 2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetic acid?
2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetic acid has a molecular weight of 262.05 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)acetic acid is sourced from PubChem (CID 71425845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).