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

C7HF13O4 — CID 87119578

IUPAC2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]propanoic acid
SMILESO=C(O)C(F)(OC(F)(F)C(F)(OC(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7HF13O4/c8-2(1(21)22,4(10,11)12)23-6(16,17)3(9,5(13,14)15)24-7(18,19)20/h(H,21,22)
InChIKeyJNYDOQOWNTURLR-UHFFFAOYSA-N
MW396.06 g/mol
LogP3.67
Rot. Bonds5

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

2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]propanoic acid (PubChem CID 87119578) has the molecular formula C7HF13O4 and a molecular weight of 396.06 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]propanoic acid.

Molecular Properties

Compound Name2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]propanoic acid
PubChem CID87119578
Molecular FormulaC7HF13O4
Molecular Weight396.06 g/mol
Exact Mass395.97
IUPAC Name2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]propanoic acid
SMILESO=C(O)C(F)(OC(F)(F)C(F)(OC(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7HF13O4/c8-2(1(21)22,4(10,11)12)23-6(16,17)3(9,5(13,14)15)24-7(18,19)20/h(H,21,22)
InChIKeyJNYDOQOWNTURLR-UHFFFAOYSA-N
XLogP3.67
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.06
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]propanoic acid?
The IUPAC name of 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]propanoic acid (CID 87119578) is 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]propanoic acid.
What is the SMILES notation for 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]propanoic acid?
The canonical SMILES for 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]propanoic acid is O=C(O)C(F)(OC(F)(F)C(F)(OC(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]propanoic acid?
The InChIKey is JNYDOQOWNTURLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HF13O4/c8-2(1(21)22,4(10,11)12)23-6(16,17)3(9,5(13,14)15)24-7(18,19)20/h(H,21,22).
What are the key properties of 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]propanoic acid?
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]propanoic acid has a molecular weight of 396.06 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]propanoic acid is sourced from PubChem (CID 87119578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).