2-aminoacetaldehyde;2,2,2-trifluoroacetic acid

C4H6F3NO3 — CID 171923069

IUPAC2-aminoacetaldehyde;2,2,2-trifluoroacetic acid
SMILESNCC=O.O=C(O)C(F)(F)F
InChIInChI=1S/C2HF3O2.C2H5NO/c3-2(4,5)1(6)7;3-1-2-4/h(H,6,7);2H,1,3H2
InChIKeyIYBCPLKPBPXNRI-UHFFFAOYSA-N
MW173.09 g/mol
LogP-0.22
Rot. Bonds1

About 2-aminoacetaldehyde;2,2,2-trifluoroacetic acid

2-aminoacetaldehyde;2,2,2-trifluoroacetic acid (PubChem CID 171923069) has the molecular formula C4H6F3NO3 and a molecular weight of 173.09 g/mol. Its IUPAC name is 2-aminoacetaldehyde;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-aminoacetaldehyde;2,2,2-trifluoroacetic acid
PubChem CID171923069
Molecular FormulaC4H6F3NO3
Molecular Weight173.09 g/mol
Exact Mass173.03
IUPAC Name2-aminoacetaldehyde;2,2,2-trifluoroacetic acid
SMILESNCC=O.O=C(O)C(F)(F)F
InChIInChI=1S/C2HF3O2.C2H5NO/c3-2(4,5)1(6)7;3-1-2-4/h(H,6,7);2H,1,3H2
InChIKeyIYBCPLKPBPXNRI-UHFFFAOYSA-N
XLogP-0.22
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.09
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-aminoacetaldehyde;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-aminoacetaldehyde;2,2,2-trifluoroacetic acid (CID 171923069) is 2-aminoacetaldehyde;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-aminoacetaldehyde;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-aminoacetaldehyde;2,2,2-trifluoroacetic acid is NCC=O.O=C(O)C(F)(F)F.
What is the InChIKey of 2-aminoacetaldehyde;2,2,2-trifluoroacetic acid?
The InChIKey is IYBCPLKPBPXNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF3O2.C2H5NO/c3-2(4,5)1(6)7;3-1-2-4/h(H,6,7);2H,1,3H2.
What are the key properties of 2-aminoacetaldehyde;2,2,2-trifluoroacetic acid?
2-aminoacetaldehyde;2,2,2-trifluoroacetic acid has a molecular weight of 173.09 g/mol, XLogP of -0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetaldehyde;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171923069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).