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

C6H4F11NO3 — CID 51342034

IUPACazanium 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
SMILESO=C([O-])C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.[NH4+]
InChIInChI=1S/C6HF11O3.H3N/c7-2(1(18)19,4(10,11)12)20-6(16,17)3(8,9)5(13,14)15;/h(H,18,19);1H3
InChIKeyRJWVKMAIYPNUSL-UHFFFAOYSA-N
MW347.08 g/mol
LogP2.15
Rot. Bonds4

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

azanium 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate (PubChem CID 51342034) has the molecular formula C6H4F11NO3 and a molecular weight of 347.08 g/mol. Its IUPAC name is azanium 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate.

Molecular Properties

Compound Nameazanium 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
PubChem CID51342034
Molecular FormulaC6H4F11NO3
Molecular Weight347.08 g/mol
Exact Mass347.00
IUPAC Nameazanium 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
SMILESO=C([O-])C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.[NH4+]
InChIInChI=1S/C6HF11O3.H3N/c7-2(1(18)19,4(10,11)12)20-6(16,17)3(8,9)5(13,14)15;/h(H,18,19);1H3
InChIKeyRJWVKMAIYPNUSL-UHFFFAOYSA-N
XLogP2.15
TPSA85.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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'}

Analyze azanium 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

lithium 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
CID 23719472
sodium 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
CID 3765118
azanium 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)propanoate
CID 138396479
potassium 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propanoate
CID 23693894
azanium 2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
CID 131727633
(2R)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl bromide
CID 97290730
2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoic acid;hydrochloride
CID 88623980
(2S,6R)-1,1,1,2,6,7,7,7-octafluoro-2,6-bis(1,1,2,2,3,3,3-heptafluoropropoxy)heptane-3,5-dione
CID 99650140
dipotassium;2-[1-(1-carboxylato-1,2,2,2-tetrafluoroethoxy)-1,2,2,2-tetrafluoroethoxy]-2,3,3,3-tetrafluoropropanoate
CID 25110976
sodium 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]ethoxy]acetate
CID 175696447
potassium 2,3,3,3-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propanoate
CID 23694417
potassium 2,3,3,3-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethoxy]propanoate
CID 122684174

Frequently Asked Questions

What is the IUPAC name of azanium 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate?
The IUPAC name of azanium 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate (CID 51342034) is azanium 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate.
What is the SMILES notation for azanium 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate?
The canonical SMILES for azanium 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate is O=C([O-])C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.[NH4+].
What is the InChIKey of azanium 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate?
The InChIKey is RJWVKMAIYPNUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF11O3.H3N/c7-2(1(18)19,4(10,11)12)20-6(16,17)3(8,9)5(13,14)15;/h(H,18,19);1H3.
What are the key properties of azanium 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate?
azanium 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate has a molecular weight of 347.08 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate is sourced from PubChem (CID 51342034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).