2-(4-azaniumylbutanoyloxy)ethylazanium;bis(2,2,2-trifluoroacetate)

C10H16F6N2O6 — CID 142152095

IUPAC2-(4-azaniumylbutanoyloxy)ethylazanium;bis(2,2,2-trifluoroacetate)
SMILESO=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.[NH3+]CCCC(=O)OCC[NH3+]
InChIInChI=1S/C6H14N2O2.2C2HF3O2/c7-3-1-2-6(9)10-5-4-8;2*3-2(4,5)1(6)7/h1-5,7-8H2;2*(H,6,7)
InChIKeyPYHWBMVQIHXRAX-UHFFFAOYSA-N
MW374.23 g/mol
LogP-3.61
Rot. Bonds5

About 2-(4-azaniumylbutanoyloxy)ethylazanium;bis(2,2,2-trifluoroacetate)

2-(4-azaniumylbutanoyloxy)ethylazanium;bis(2,2,2-trifluoroacetate) (PubChem CID 142152095) has the molecular formula C10H16F6N2O6 and a molecular weight of 374.23 g/mol. Its IUPAC name is 2-(4-azaniumylbutanoyloxy)ethylazanium;bis(2,2,2-trifluoroacetate).

Molecular Properties

Compound Name2-(4-azaniumylbutanoyloxy)ethylazanium;bis(2,2,2-trifluoroacetate)
PubChem CID142152095
Molecular FormulaC10H16F6N2O6
Molecular Weight374.23 g/mol
Exact Mass374.09
IUPAC Name2-(4-azaniumylbutanoyloxy)ethylazanium;bis(2,2,2-trifluoroacetate)
SMILESO=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.[NH3+]CCCC(=O)OCC[NH3+]
InChIInChI=1S/C6H14N2O2.2C2HF3O2/c7-3-1-2-6(9)10-5-4-8;2*3-2(4,5)1(6)7/h1-5,7-8H2;2*(H,6,7)
InChIKeyPYHWBMVQIHXRAX-UHFFFAOYSA-N
XLogP-3.61
TPSA161.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 5-3.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(4-azaniumylbutanoyloxy)ethylazanium;bis(2,2,2-trifluoroacetate) 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-(4-azaniumylbutanoyloxy)ethylazanium;bis(2,2,2-trifluoroacetate)?
The IUPAC name of 2-(4-azaniumylbutanoyloxy)ethylazanium;bis(2,2,2-trifluoroacetate) (CID 142152095) is 2-(4-azaniumylbutanoyloxy)ethylazanium;bis(2,2,2-trifluoroacetate).
What is the SMILES notation for 2-(4-azaniumylbutanoyloxy)ethylazanium;bis(2,2,2-trifluoroacetate)?
The canonical SMILES for 2-(4-azaniumylbutanoyloxy)ethylazanium;bis(2,2,2-trifluoroacetate) is O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.[NH3+]CCCC(=O)OCC[NH3+].
What is the InChIKey of 2-(4-azaniumylbutanoyloxy)ethylazanium;bis(2,2,2-trifluoroacetate)?
The InChIKey is PYHWBMVQIHXRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2.2C2HF3O2/c7-3-1-2-6(9)10-5-4-8;2*3-2(4,5)1(6)7/h1-5,7-8H2;2*(H,6,7).
What are the key properties of 2-(4-azaniumylbutanoyloxy)ethylazanium;bis(2,2,2-trifluoroacetate)?
2-(4-azaniumylbutanoyloxy)ethylazanium;bis(2,2,2-trifluoroacetate) has a molecular weight of 374.23 g/mol, XLogP of -3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-azaniumylbutanoyloxy)ethylazanium;bis(2,2,2-trifluoroacetate) is sourced from PubChem (CID 142152095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).