azanium 2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate

C6H4F11NO3 — CID 131727633

IUPACazanium 2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
SMILESO=C([O-])C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)F.[NH4+]
InChIInChI=1S/C6HF11O3.H3N/c7-2(8,1(18)19)5(14,15)20-6(16,17)3(9,10)4(11,12)13;/h(H,18,19);1H3
InChIKeyWBNNQRYGSHHOTO-UHFFFAOYSA-N
MW347.08 g/mol
LogP2.15
Rot. Bonds5

About azanium 2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate

azanium 2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate (PubChem CID 131727633) has the molecular formula C6H4F11NO3 and a molecular weight of 347.08 g/mol. Its IUPAC name is azanium 2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate.

Molecular Properties

Compound Nameazanium 2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
PubChem CID131727633
Molecular FormulaC6H4F11NO3
Molecular Weight347.08 g/mol
Exact Mass347.00
IUPAC Nameazanium 2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
SMILESO=C([O-])C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)F.[NH4+]
InChIInChI=1S/C6HF11O3.H3N/c7-2(8,1(18)19)5(14,15)20-6(16,17)3(9,10)4(11,12)13;/h(H,18,19);1H3
InChIKeyWBNNQRYGSHHOTO-UHFFFAOYSA-N
XLogP2.15
TPSA85.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.08
LogP ≤ 52.15
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 azanium 2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate?
The IUPAC name of azanium 2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate (CID 131727633) is azanium 2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate.
What is the SMILES notation for azanium 2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate?
The canonical SMILES for azanium 2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate is O=C([O-])C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)F.[NH4+].
What is the InChIKey of azanium 2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate?
The InChIKey is WBNNQRYGSHHOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF11O3.H3N/c7-2(8,1(18)19)5(14,15)20-6(16,17)3(9,10)4(11,12)13;/h(H,18,19);1H3.
What are the key properties of azanium 2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate?
azanium 2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate has a molecular weight of 347.08 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate is sourced from PubChem (CID 131727633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).