azane;2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3,3-pentafluoroprop-2-enoxy)propoxy]propoxy]propanoic acid

C12H4F21NO5 — CID 174355166

About azane;2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3,3-pentafluoroprop-2-enoxy)propoxy]propoxy]propanoic acid

azane;2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3,3-pentafluoroprop-2-enoxy)propoxy]propoxy]propanoic acid (PubChem CID 174355166) has the molecular formula C12H4F21NO5 and a molecular weight of 641.12 g/mol. Its IUPAC name is azane;2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3,3-pentafluoroprop-2-enoxy)propoxy]propoxy]propanoic acid.

Molecular Properties

• Compound Name: azane;2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3,3-pentafluoroprop-2-enoxy)propoxy]propoxy]propanoic acid
• PubChem CID: 174355166
• Molecular Formula: C12H4F21NO5
• Molecular Weight: 641.12 g/mol
• Exact Mass: 640.98
• IUPAC Name: azane;2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3,3-pentafluoroprop-2-enoxy)propoxy]propoxy]propanoic acid
• SMILES: N.O=C(O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)=C(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C12HF21O5.H3N/c13-1(2(14)15)5(17,18)37-6(19,9(24,25)26)12(32,33)38-7(20,10(27,28)29)11(30,31)36-4(16,3(34)35)8(21,22)23;/h(H,34,35);1H3
• InChIKey: RWBATQSNIGJETQ-UHFFFAOYSA-N
• XLogP: 6.82
• TPSA: 99.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	641.12
LogP ≤ 5	6.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of azane;2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3,3-pentafluoroprop-2-enoxy)propoxy]propoxy]propanoic acid?

The IUPAC name of azane;2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3,3-pentafluoroprop-2-enoxy)propoxy]propoxy]propanoic acid (CID 174355166) is azane;2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3,3-pentafluoroprop-2-enoxy)propoxy]propoxy]propanoic acid.

What is the SMILES notation for azane;2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3,3-pentafluoroprop-2-enoxy)propoxy]propoxy]propanoic acid?

The canonical SMILES for azane;2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3,3-pentafluoroprop-2-enoxy)propoxy]propoxy]propanoic acid is N.O=C(O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)=C(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F.

What is the InChIKey of azane;2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3,3-pentafluoroprop-2-enoxy)propoxy]propoxy]propanoic acid?

The InChIKey is RWBATQSNIGJETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12HF21O5.H3N/c13-1(2(14)15)5(17,18)37-6(19,9(24,25)26)12(32,33)38-7(20,10(27,28)29)11(30,31)36-4(16,3(34)35)8(21,22)23;/h(H,34,35);1H3.

What are the key properties of azane;2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3,3-pentafluoroprop-2-enoxy)propoxy]propoxy]propanoic acid?

azane;2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3,3-pentafluoroprop-2-enoxy)propoxy]propoxy]propanoic acid has a molecular weight of 641.12 g/mol, XLogP of 6.82, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for azane;2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3,3-pentafluoroprop-2-enoxy)propoxy]propoxy]propanoic acid is sourced from PubChem (CID 174355166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).