azanium;ethanol;2,2,2-trifluoroacetate

C4H10F3NO3 — CID 172825717

IUPACazanium;ethanol;2,2,2-trifluoroacetate
SMILESCCO.O=C([O-])C(F)(F)F.[NH4+]
InChIInChI=1S/C2HF3O2.C2H6O.H3N/c3-2(4,5)1(6)7;1-2-3;/h(H,6,7);3H,2H2,1H3;1H3
InChIKeyUVHHMCQSDZMGPY-UHFFFAOYSA-N
MW177.12 g/mol
LogP-0.33
Rot. Bonds

About azanium;ethanol;2,2,2-trifluoroacetate

azanium;ethanol;2,2,2-trifluoroacetate (PubChem CID 172825717) has the molecular formula C4H10F3NO3 and a molecular weight of 177.12 g/mol. Its IUPAC name is azanium;ethanol;2,2,2-trifluoroacetate.

Molecular Properties

Compound Nameazanium;ethanol;2,2,2-trifluoroacetate
PubChem CID172825717
Molecular FormulaC4H10F3NO3
Molecular Weight177.12 g/mol
Exact Mass177.06
IUPAC Nameazanium;ethanol;2,2,2-trifluoroacetate
SMILESCCO.O=C([O-])C(F)(F)F.[NH4+]
InChIInChI=1S/C2HF3O2.C2H6O.H3N/c3-2(4,5)1(6)7;1-2-3;/h(H,6,7);3H,2H2,1H3;1H3
InChIKeyUVHHMCQSDZMGPY-UHFFFAOYSA-N
XLogP-0.33
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.12
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azanium;ethanol;2,2,2-trifluoroacetate?
The IUPAC name of azanium;ethanol;2,2,2-trifluoroacetate (CID 172825717) is azanium;ethanol;2,2,2-trifluoroacetate.
What is the SMILES notation for azanium;ethanol;2,2,2-trifluoroacetate?
The canonical SMILES for azanium;ethanol;2,2,2-trifluoroacetate is CCO.O=C([O-])C(F)(F)F.[NH4+].
What is the InChIKey of azanium;ethanol;2,2,2-trifluoroacetate?
The InChIKey is UVHHMCQSDZMGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF3O2.C2H6O.H3N/c3-2(4,5)1(6)7;1-2-3;/h(H,6,7);3H,2H2,1H3;1H3.
What are the key properties of azanium;ethanol;2,2,2-trifluoroacetate?
azanium;ethanol;2,2,2-trifluoroacetate has a molecular weight of 177.12 g/mol, XLogP of -0.33, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;ethanol;2,2,2-trifluoroacetate is sourced from PubChem (CID 172825717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).