triethylazanium;2-[(2,2,2-trifluoroacetyl)amino]acetate

C10H19F3N2O3 — CID 131720460

IUPACtriethylazanium;2-[(2,2,2-trifluoroacetyl)amino]acetate
SMILESCC[NH+](CC)CC.O=C([O-])CNC(=O)C(F)(F)F
InChIInChI=1S/C6H15N.C4H4F3NO3/c1-4-7(5-2)6-3;5-4(6,7)3(11)8-1-2(9)10/h4-6H2,1-3H3;1H2,(H,8,11)(H,9,10)
InChIKeyMTOBBWSVOWVDDX-UHFFFAOYSA-N
MW272.27 g/mol
LogP-1.65
Rot. Bonds5

About triethylazanium;2-[(2,2,2-trifluoroacetyl)amino]acetate

triethylazanium;2-[(2,2,2-trifluoroacetyl)amino]acetate (PubChem CID 131720460) has the molecular formula C10H19F3N2O3 and a molecular weight of 272.27 g/mol. Its IUPAC name is triethylazanium;2-[(2,2,2-trifluoroacetyl)amino]acetate.

Molecular Properties

Compound Nametriethylazanium;2-[(2,2,2-trifluoroacetyl)amino]acetate
PubChem CID131720460
Molecular FormulaC10H19F3N2O3
Molecular Weight272.27 g/mol
Exact Mass272.13
IUPAC Nametriethylazanium;2-[(2,2,2-trifluoroacetyl)amino]acetate
SMILESCC[NH+](CC)CC.O=C([O-])CNC(=O)C(F)(F)F
InChIInChI=1S/C6H15N.C4H4F3NO3/c1-4-7(5-2)6-3;5-4(6,7)3(11)8-1-2(9)10/h4-6H2,1-3H3;1H2,(H,8,11)(H,9,10)
InChIKeyMTOBBWSVOWVDDX-UHFFFAOYSA-N
XLogP-1.65
TPSA73.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 5-1.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of triethylazanium;2-[(2,2,2-trifluoroacetyl)amino]acetate?
The IUPAC name of triethylazanium;2-[(2,2,2-trifluoroacetyl)amino]acetate (CID 131720460) is triethylazanium;2-[(2,2,2-trifluoroacetyl)amino]acetate.
What is the SMILES notation for triethylazanium;2-[(2,2,2-trifluoroacetyl)amino]acetate?
The canonical SMILES for triethylazanium;2-[(2,2,2-trifluoroacetyl)amino]acetate is CC[NH+](CC)CC.O=C([O-])CNC(=O)C(F)(F)F.
What is the InChIKey of triethylazanium;2-[(2,2,2-trifluoroacetyl)amino]acetate?
The InChIKey is MTOBBWSVOWVDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C4H4F3NO3/c1-4-7(5-2)6-3;5-4(6,7)3(11)8-1-2(9)10/h4-6H2,1-3H3;1H2,(H,8,11)(H,9,10).
What are the key properties of triethylazanium;2-[(2,2,2-trifluoroacetyl)amino]acetate?
triethylazanium;2-[(2,2,2-trifluoroacetyl)amino]acetate has a molecular weight of 272.27 g/mol, XLogP of -1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethylazanium;2-[(2,2,2-trifluoroacetyl)amino]acetate is sourced from PubChem (CID 131720460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).