2,2,3,3-tetrafluoro-3-[1,1,2,3,3,3-hexafluoro-2-(1,2,2-trifluoroethenoxy)propoxy]propanoic acid

C8HF13O4 — CID 138394713

IUPAC2,2,3,3-tetrafluoro-3-[1,1,2,3,3,3-hexafluoro-2-(1,2,2-trifluoroethenoxy)propoxy]propanoic acid
SMILESO=C(O)C(F)(F)C(F)(F)OC(F)(F)C(F)(OC(F)=C(F)F)C(F)(F)F
InChIInChI=1S/C8HF13O4/c9-1(10)2(11)24-5(14,6(15,16)17)8(20,21)25-7(18,19)4(12,13)3(22)23/h(H,22,23)
InChIKeyNVILGJAVCHHVGH-UHFFFAOYSA-N
MW408.07 g/mol
LogP4.19
Rot. Bonds7

About 2,2,3,3-tetrafluoro-3-[1,1,2,3,3,3-hexafluoro-2-(1,2,2-trifluoroethenoxy)propoxy]propanoic acid

2,2,3,3-tetrafluoro-3-[1,1,2,3,3,3-hexafluoro-2-(1,2,2-trifluoroethenoxy)propoxy]propanoic acid (PubChem CID 138394713) has the molecular formula C8HF13O4 and a molecular weight of 408.07 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-3-[1,1,2,3,3,3-hexafluoro-2-(1,2,2-trifluoroethenoxy)propoxy]propanoic acid.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-3-[1,1,2,3,3,3-hexafluoro-2-(1,2,2-trifluoroethenoxy)propoxy]propanoic acid
PubChem CID138394713
Molecular FormulaC8HF13O4
Molecular Weight408.07 g/mol
Exact Mass407.97
IUPAC Name2,2,3,3-tetrafluoro-3-[1,1,2,3,3,3-hexafluoro-2-(1,2,2-trifluoroethenoxy)propoxy]propanoic acid
SMILESO=C(O)C(F)(F)C(F)(F)OC(F)(F)C(F)(OC(F)=C(F)F)C(F)(F)F
InChIInChI=1S/C8HF13O4/c9-1(10)2(11)24-5(14,6(15,16)17)8(20,21)25-7(18,19)4(12,13)3(22)23/h(H,22,23)
InChIKeyNVILGJAVCHHVGH-UHFFFAOYSA-N
XLogP4.19
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.07
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 14174315
sodium 1,1,2,2-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,2,2-trifluoroethenoxy)propoxy]ethanesulfinate
CID 162396626
2-(2-carboxy-1,1,2,2-tetrafluoroethoxy)-2,3,3,3-tetrafluoropropanoic acid
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CID 163324622
azane;2,2,3,4,4,4-hexafluoro-3-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]butanoic acid
CID 175893923
1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxyethanesulfonamide
CID 102187425
azane;1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxyethanesulfonic acid
CID 87161896
1,1,1,2,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)-3-(1,2,2-trifluoroethenoxy)propane
CID 11730669
1,1,2,2,3,3,4,4,5,5-decafluoro-5-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypentane-1-sulfonic acid
CID 101028064
[2,2,3,3-tetrafluoro-3-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propoxy]propanoyl] 2,2,3,3-tetrafluoro-3-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propoxy]propaneperoxoate
CID 141080446
2,2,3,3,4,4-hexafluoro-4-(1,2,2-trifluoroethenoxy)butanoyl chloride
CID 131719956
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]propanoic acid
CID 87119578

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-3-[1,1,2,3,3,3-hexafluoro-2-(1,2,2-trifluoroethenoxy)propoxy]propanoic acid?
The IUPAC name of 2,2,3,3-tetrafluoro-3-[1,1,2,3,3,3-hexafluoro-2-(1,2,2-trifluoroethenoxy)propoxy]propanoic acid (CID 138394713) is 2,2,3,3-tetrafluoro-3-[1,1,2,3,3,3-hexafluoro-2-(1,2,2-trifluoroethenoxy)propoxy]propanoic acid.
What is the SMILES notation for 2,2,3,3-tetrafluoro-3-[1,1,2,3,3,3-hexafluoro-2-(1,2,2-trifluoroethenoxy)propoxy]propanoic acid?
The canonical SMILES for 2,2,3,3-tetrafluoro-3-[1,1,2,3,3,3-hexafluoro-2-(1,2,2-trifluoroethenoxy)propoxy]propanoic acid is O=C(O)C(F)(F)C(F)(F)OC(F)(F)C(F)(OC(F)=C(F)F)C(F)(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-3-[1,1,2,3,3,3-hexafluoro-2-(1,2,2-trifluoroethenoxy)propoxy]propanoic acid?
The InChIKey is NVILGJAVCHHVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8HF13O4/c9-1(10)2(11)24-5(14,6(15,16)17)8(20,21)25-7(18,19)4(12,13)3(22)23/h(H,22,23).
What are the key properties of 2,2,3,3-tetrafluoro-3-[1,1,2,3,3,3-hexafluoro-2-(1,2,2-trifluoroethenoxy)propoxy]propanoic acid?
2,2,3,3-tetrafluoro-3-[1,1,2,3,3,3-hexafluoro-2-(1,2,2-trifluoroethenoxy)propoxy]propanoic acid has a molecular weight of 408.07 g/mol, XLogP of 4.19, 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-[1,1,2,3,3,3-hexafluoro-2-(1,2,2-trifluoroethenoxy)propoxy]propanoic acid is sourced from PubChem (CID 138394713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).