2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoroethoxy)propan-2-yl]oxypropanoic acid

C8H2F14O4 — CID 131713263

IUPAC2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoroethoxy)propan-2-yl]oxypropanoic acid
SMILESO=C(O)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)C(F)(F)F
InChIInChI=1S/C8H2F14O4/c9-1(4(12,13)14)25-8(21,22)5(15,6(16,17)18)26-7(19,20)3(10,11)2(23)24/h1H,(H,23,24)
InChIKeyVCWDSNIRAAZWFY-UHFFFAOYSA-N
MW428.07 g/mol
LogP4.01
Rot. Bonds7

About 2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoroethoxy)propan-2-yl]oxypropanoic acid

2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoroethoxy)propan-2-yl]oxypropanoic acid (PubChem CID 131713263) has the molecular formula C8H2F14O4 and a molecular weight of 428.07 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoroethoxy)propan-2-yl]oxypropanoic acid.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoroethoxy)propan-2-yl]oxypropanoic acid
PubChem CID131713263
Molecular FormulaC8H2F14O4
Molecular Weight428.07 g/mol
Exact Mass427.97
IUPAC Name2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoroethoxy)propan-2-yl]oxypropanoic acid
SMILESO=C(O)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)C(F)(F)F
InChIInChI=1S/C8H2F14O4/c9-1(4(12,13)14)25-8(21,22)5(15,6(16,17)18)26-7(19,20)3(10,11)2(23)24/h1H,(H,23,24)
InChIKeyVCWDSNIRAAZWFY-UHFFFAOYSA-N
XLogP4.01
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoroethoxy)propan-2-yl]oxypropanoic acid?
The IUPAC name of 2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoroethoxy)propan-2-yl]oxypropanoic acid (CID 131713263) is 2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoroethoxy)propan-2-yl]oxypropanoic acid.
What is the SMILES notation for 2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoroethoxy)propan-2-yl]oxypropanoic acid?
The canonical SMILES for 2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoroethoxy)propan-2-yl]oxypropanoic acid is O=C(O)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoroethoxy)propan-2-yl]oxypropanoic acid?
The InChIKey is VCWDSNIRAAZWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F14O4/c9-1(4(12,13)14)25-8(21,22)5(15,6(16,17)18)26-7(19,20)3(10,11)2(23)24/h1H,(H,23,24).
What are the key properties of 2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoroethoxy)propan-2-yl]oxypropanoic acid?
2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoroethoxy)propan-2-yl]oxypropanoic acid has a molecular weight of 428.07 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoroethoxy)propan-2-yl]oxypropanoic acid is sourced from PubChem (CID 131713263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).