2-(2,2,2-trifluoroethylazaniumyl)acetate

C4H6F3NO2 — CID 28897661

IUPAC2-(2,2,2-trifluoroethylazaniumyl)acetate
SMILESO=C([O-])C[NH2+]CC(F)(F)F
InChIInChI=1S/C4H6F3NO2/c5-4(6,7)2-8-1-3(9)10/h8H,1-2H2,(H,9,10)
InChIKeyULINGFKOGLHDJP-UHFFFAOYSA-N
MW157.09 g/mol
LogP-2.14
Rot. Bonds3

About 2-(2,2,2-trifluoroethylazaniumyl)acetate

2-(2,2,2-trifluoroethylazaniumyl)acetate (PubChem CID 28897661) has the molecular formula C4H6F3NO2 and a molecular weight of 157.09 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylazaniumyl)acetate.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylazaniumyl)acetate
PubChem CID28897661
Molecular FormulaC4H6F3NO2
Molecular Weight157.09 g/mol
Exact Mass157.04
IUPAC Name2-(2,2,2-trifluoroethylazaniumyl)acetate
SMILESO=C([O-])C[NH2+]CC(F)(F)F
InChIInChI=1S/C4H6F3NO2/c5-4(6,7)2-8-1-3(9)10/h8H,1-2H2,(H,9,10)
InChIKeyULINGFKOGLHDJP-UHFFFAOYSA-N
XLogP-2.14
TPSA56.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.09
LogP ≤ 5-2.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylazaniumyl)acetate?
The IUPAC name of 2-(2,2,2-trifluoroethylazaniumyl)acetate (CID 28897661) is 2-(2,2,2-trifluoroethylazaniumyl)acetate.
What is the SMILES notation for 2-(2,2,2-trifluoroethylazaniumyl)acetate?
The canonical SMILES for 2-(2,2,2-trifluoroethylazaniumyl)acetate is O=C([O-])C[NH2+]CC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethylazaniumyl)acetate?
The InChIKey is ULINGFKOGLHDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NO2/c5-4(6,7)2-8-1-3(9)10/h8H,1-2H2,(H,9,10).
What are the key properties of 2-(2,2,2-trifluoroethylazaniumyl)acetate?
2-(2,2,2-trifluoroethylazaniumyl)acetate has a molecular weight of 157.09 g/mol, XLogP of -2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylazaniumyl)acetate is sourced from PubChem (CID 28897661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).