2-(2,2,2-trifluoroethylimino)acetic acid

C4H4F3NO2 — CID 141010402

IUPAC2-(2,2,2-trifluoroethylimino)acetic acid
SMILESO=C(O)/C=N/CC(F)(F)F
InChIInChI=1S/C4H4F3NO2/c5-4(6,7)2-8-1-3(9)10/h1H,2H2,(H,9,10)/b8-1+
InChIKeyZGVJTVLQGUPGAA-UNXLUWIOSA-N
MW155.07 g/mol
LogP0.70
Rot. Bonds2

About 2-(2,2,2-trifluoroethylimino)acetic acid

2-(2,2,2-trifluoroethylimino)acetic acid (PubChem CID 141010402) has the molecular formula C4H4F3NO2 and a molecular weight of 155.07 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylimino)acetic acid.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylimino)acetic acid
PubChem CID141010402
Molecular FormulaC4H4F3NO2
Molecular Weight155.07 g/mol
Exact Mass155.02
IUPAC Name2-(2,2,2-trifluoroethylimino)acetic acid
SMILESO=C(O)/C=N/CC(F)(F)F
InChIInChI=1S/C4H4F3NO2/c5-4(6,7)2-8-1-3(9)10/h1H,2H2,(H,9,10)/b8-1+
InChIKeyZGVJTVLQGUPGAA-UNXLUWIOSA-N
XLogP0.70
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.07
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-(2,2,2-trifluoroethylimino)acetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylimino)acetic acid?
The IUPAC name of 2-(2,2,2-trifluoroethylimino)acetic acid (CID 141010402) is 2-(2,2,2-trifluoroethylimino)acetic acid.
What is the SMILES notation for 2-(2,2,2-trifluoroethylimino)acetic acid?
The canonical SMILES for 2-(2,2,2-trifluoroethylimino)acetic acid is O=C(O)/C=N/CC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethylimino)acetic acid?
The InChIKey is ZGVJTVLQGUPGAA-UNXLUWIOSA-N. The full InChI is InChI=1S/C4H4F3NO2/c5-4(6,7)2-8-1-3(9)10/h1H,2H2,(H,9,10)/b8-1+.
What are the key properties of 2-(2,2,2-trifluoroethylimino)acetic acid?
2-(2,2,2-trifluoroethylimino)acetic acid has a molecular weight of 155.07 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylimino)acetic acid is sourced from PubChem (CID 141010402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).