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

C8H3F13O4 — CID 54368253

IUPAC2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethoxy)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
InChIInChI=1S/C8H3F13O4/c9-1(10)2(11)24-8(20,21)5(14,6(15,16)17)25-7(18,19)4(12,13)3(22)23/h1-2H,(H,22,23)
InChIKeyURHNDVDLDOJQSN-UHFFFAOYSA-N
MW410.08 g/mol
LogP3.71
Rot. Bonds8

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

2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethoxy)propan-2-yl]oxypropanoic acid (PubChem CID 54368253) has the molecular formula C8H3F13O4 and a molecular weight of 410.08 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethoxy)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-trifluoroethoxy)propan-2-yl]oxypropanoic acid
PubChem CID54368253
Molecular FormulaC8H3F13O4
Molecular Weight410.08 g/mol
Exact Mass409.98
IUPAC Name2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethoxy)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
InChIInChI=1S/C8H3F13O4/c9-1(10)2(11)24-8(20,21)5(14,6(15,16)17)25-7(18,19)4(12,13)3(22)23/h1-2H,(H,22,23)
InChIKeyURHNDVDLDOJQSN-UHFFFAOYSA-N
XLogP3.71
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.08
LogP ≤ 53.71
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-trifluoroethoxy)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-trifluoroethoxy)propan-2-yl]oxypropanoic acid (CID 54368253) is 2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethoxy)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-trifluoroethoxy)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-trifluoroethoxy)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.
What is the InChIKey of 2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethoxy)propan-2-yl]oxypropanoic acid?
The InChIKey is URHNDVDLDOJQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F13O4/c9-1(10)2(11)24-8(20,21)5(14,6(15,16)17)25-7(18,19)4(12,13)3(22)23/h1-2H,(H,22,23).
What are the key properties of 2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethoxy)propan-2-yl]oxypropanoic acid?
2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethoxy)propan-2-yl]oxypropanoic acid has a molecular weight of 410.08 g/mol, XLogP of 3.71, 8 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-trifluoroethoxy)propan-2-yl]oxypropanoic acid is sourced from PubChem (CID 54368253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).