1-hydroxyethylazanium;2,2,2-trifluoroacetate

C4H8F3NO3 — CID 87299528

IUPAC1-hydroxyethylazanium;2,2,2-trifluoroacetate
SMILESCC([NH3+])O.O=C([O-])C(F)(F)F
InChIInChI=1S/C2HF3O2.C2H7NO/c3-2(4,5)1(6)7;1-2(3)4/h(H,6,7);2,4H,3H2,1H3
InChIKeyZKKROXMZHGRIJL-UHFFFAOYSA-N
MW175.11 g/mol
LogP-2.13
Rot. Bonds

About 1-hydroxyethylazanium;2,2,2-trifluoroacetate

1-hydroxyethylazanium;2,2,2-trifluoroacetate (PubChem CID 87299528) has the molecular formula C4H8F3NO3 and a molecular weight of 175.11 g/mol. Its IUPAC name is 1-hydroxyethylazanium;2,2,2-trifluoroacetate.

Molecular Properties

Compound Name1-hydroxyethylazanium;2,2,2-trifluoroacetate
PubChem CID87299528
Molecular FormulaC4H8F3NO3
Molecular Weight175.11 g/mol
Exact Mass175.05
IUPAC Name1-hydroxyethylazanium;2,2,2-trifluoroacetate
SMILESCC([NH3+])O.O=C([O-])C(F)(F)F
InChIInChI=1S/C2HF3O2.C2H7NO/c3-2(4,5)1(6)7;1-2(3)4/h(H,6,7);2,4H,3H2,1H3
InChIKeyZKKROXMZHGRIJL-UHFFFAOYSA-N
XLogP-2.13
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.11
LogP ≤ 5-2.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Ethylamine Trifluoroacetate
CID 86017709
Ethanol;methanamine;2,2,2-trifluoroacetic acid
CID 175427045
2-Aminoethanol;2,2,2-trifluoroacetic acid
CID 13000305
2-Hydroxyethylazanium;2,2,2-trifluoroacetate
CID 21903073
2-(Methylamino)ethanol;2,2,2-trifluoroacetic acid
CID 173051239
2-Methoxyethylammonium trifluoroacetate
CID 22623616
n-Propylammonium trifluoroacetate
CID 85782673
Acetic acid;2,2-difluoroethanamine
CID 87244303
2-(Sulfanylamino)ethanol;2,2,2-trifluoroacetic acid
CID 87521805
3-Aminopropan-1-ol;2,2,2-trifluoroacetic acid
CID 87715709
1-Hydroxypropylazanium;2,2,2-trifluoroacetate
CID 143717972
1-Methoxyethanamine;2,2,2-trifluoroacetic acid
CID 170159796

Frequently Asked Questions

What is the IUPAC name of 1-hydroxyethylazanium;2,2,2-trifluoroacetate?
The IUPAC name of 1-hydroxyethylazanium;2,2,2-trifluoroacetate (CID 87299528) is 1-hydroxyethylazanium;2,2,2-trifluoroacetate.
What is the SMILES notation for 1-hydroxyethylazanium;2,2,2-trifluoroacetate?
The canonical SMILES for 1-hydroxyethylazanium;2,2,2-trifluoroacetate is CC([NH3+])O.O=C([O-])C(F)(F)F.
What is the InChIKey of 1-hydroxyethylazanium;2,2,2-trifluoroacetate?
The InChIKey is ZKKROXMZHGRIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF3O2.C2H7NO/c3-2(4,5)1(6)7;1-2(3)4/h(H,6,7);2,4H,3H2,1H3.
What are the key properties of 1-hydroxyethylazanium;2,2,2-trifluoroacetate?
1-hydroxyethylazanium;2,2,2-trifluoroacetate has a molecular weight of 175.11 g/mol, XLogP of -2.13, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyethylazanium;2,2,2-trifluoroacetate is sourced from PubChem (CID 87299528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).