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

C10H4F19NO4 — CID 175893923

About 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

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 (PubChem CID 175893923) has the molecular formula C10H4F19NO4 and a molecular weight of 563.11 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 175893923
• Molecular Formula: C10H4F19NO4
• Molecular Weight: 563.11 g/mol
• Exact Mass: 562.98
• IUPAC Name: 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
• SMILES: N.O=C(O)C(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C10HF19O4.H3N/c11-2(12,1(30)31)4(15,7(20,21)22)32-10(28,29)5(16,8(23,24)25)33-9(26,27)3(13,14)6(17,18)19;/h(H,30,31);1H3
• InChIKey: DSRWSGIFCPMBPT-UHFFFAOYSA-N
• XLogP: 5.74
• TPSA: 90.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.11
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is N.O=C(O)C(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F.

What is the InChIKey of 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?

The InChIKey is DSRWSGIFCPMBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10HF19O4.H3N/c11-2(12,1(30)31)4(15,7(20,21)22)32-10(28,29)5(16,8(23,24)25)33-9(26,27)3(13,14)6(17,18)19;/h(H,30,31);1H3.

What are the key properties of 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?

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 has a molecular weight of 563.11 g/mol, XLogP of 5.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 175893923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).