2-(1,1,2-trifluoroethylamino)acetic acid

C4H6F3NO2 — CID 87094481

IUPAC2-(1,1,2-trifluoroethylamino)acetic acid
SMILESO=C(O)CNC(F)(F)CF
InChIInChI=1S/C4H6F3NO2/c5-2-4(6,7)8-1-3(9)10/h8H,1-2H2,(H,9,10)
InChIKeyYZZZYIGQFOKLSZ-UHFFFAOYSA-N
MW157.09 g/mol
LogP0.22
Rot. Bonds4

About 2-(1,1,2-trifluoroethylamino)acetic acid

2-(1,1,2-trifluoroethylamino)acetic acid (PubChem CID 87094481) has the molecular formula C4H6F3NO2 and a molecular weight of 157.09 g/mol. Its IUPAC name is 2-(1,1,2-trifluoroethylamino)acetic acid.

Molecular Properties

Compound Name2-(1,1,2-trifluoroethylamino)acetic acid
PubChem CID87094481
Molecular FormulaC4H6F3NO2
Molecular Weight157.09 g/mol
Exact Mass157.04
IUPAC Name2-(1,1,2-trifluoroethylamino)acetic acid
SMILESO=C(O)CNC(F)(F)CF
InChIInChI=1S/C4H6F3NO2/c5-2-4(6,7)8-1-3(9)10/h8H,1-2H2,(H,9,10)
InChIKeyYZZZYIGQFOKLSZ-UHFFFAOYSA-N
XLogP0.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.09
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2-trifluoroethylamino)acetic acid?
The IUPAC name of 2-(1,1,2-trifluoroethylamino)acetic acid (CID 87094481) is 2-(1,1,2-trifluoroethylamino)acetic acid.
What is the SMILES notation for 2-(1,1,2-trifluoroethylamino)acetic acid?
The canonical SMILES for 2-(1,1,2-trifluoroethylamino)acetic acid is O=C(O)CNC(F)(F)CF.
What is the InChIKey of 2-(1,1,2-trifluoroethylamino)acetic acid?
The InChIKey is YZZZYIGQFOKLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NO2/c5-2-4(6,7)8-1-3(9)10/h8H,1-2H2,(H,9,10).
What are the key properties of 2-(1,1,2-trifluoroethylamino)acetic acid?
2-(1,1,2-trifluoroethylamino)acetic acid has a molecular weight of 157.09 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2-trifluoroethylamino)acetic acid is sourced from PubChem (CID 87094481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).