2-fluoro-2-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]acetic acid

C8H2F14O4 — CID 162396535

IUPAC2-fluoro-2-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]acetic acid
SMILESO=C(O)C(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H2F14O4/c9-1(2(23)24)25-6(17,18)4(12,13)8(21,22)26-7(19,20)3(10,11)5(14,15)16/h1H,(H,23,24)
InChIKeyKNKREEYPFRYMBH-UHFFFAOYSA-N
MW428.07 g/mol
LogP4.01
Rot. Bonds8

About 2-fluoro-2-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]acetic acid

2-fluoro-2-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]acetic acid (PubChem CID 162396535) has the molecular formula C8H2F14O4 and a molecular weight of 428.07 g/mol. Its IUPAC name is 2-fluoro-2-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]acetic acid.

Molecular Properties

Compound Name2-fluoro-2-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]acetic acid
PubChem CID162396535
Molecular FormulaC8H2F14O4
Molecular Weight428.07 g/mol
Exact Mass427.97
IUPAC Name2-fluoro-2-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]acetic acid
SMILESO=C(O)C(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H2F14O4/c9-1(2(23)24)25-6(17,18)4(12,13)8(21,22)26-7(19,20)3(10,11)5(14,15)16/h1H,(H,23,24)
InChIKeyKNKREEYPFRYMBH-UHFFFAOYSA-N
XLogP4.01
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.07
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-fluoro-2-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]acetic acid with MolForge

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Related Compounds

2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propanoyl fluoride
CID 121435395
2-[1,1,2-trifluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]ethoxy]acetic acid
CID 162396615
1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propane
CID 10968705
2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoic acid;hydrochloride
CID 88623980
azanium 2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
CID 131727633
1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propane;methane
CID 160879773
sodium 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]ethoxy]acetate
CID 175696447
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
azane;2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]acetic acid
CID 175696446
(2R)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-methylpropanamide
CID 162854102
(2R)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl bromide
CID 97290730
3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-hydroxypropanoyl fluoride
CID 11659940

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]acetic acid?
The IUPAC name of 2-fluoro-2-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]acetic acid (CID 162396535) is 2-fluoro-2-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]acetic acid.
What is the SMILES notation for 2-fluoro-2-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]acetic acid?
The canonical SMILES for 2-fluoro-2-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]acetic acid is O=C(O)C(F)OC(F)(F)C(F)(F)C(F)(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-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]acetic acid?
The InChIKey is KNKREEYPFRYMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F14O4/c9-1(2(23)24)25-6(17,18)4(12,13)8(21,22)26-7(19,20)3(10,11)5(14,15)16/h1H,(H,23,24).
What are the key properties of 2-fluoro-2-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]acetic acid?
2-fluoro-2-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]acetic acid has a molecular weight of 428.07 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]acetic acid is sourced from PubChem (CID 162396535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).