1-amino-3-(2-methoxyethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine

C8H17F3N4O2 — CID 104886402

IUPAC1-amino-3-(2-methoxyethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
SMILESCOCCN/C(=N\CCOCC(F)(F)F)NN
InChIInChI=1S/C8H17F3N4O2/c1-16-4-2-13-7(15-12)14-3-5-17-6-8(9,10)11/h2-6,12H2,1H3,(H2,13,14,15)
InChIKeyYPWVVGPIUIZDQX-UHFFFAOYSA-N
MW258.24 g/mol
LogP-0.38
Rot. Bonds7

About 1-amino-3-(2-methoxyethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine

1-amino-3-(2-methoxyethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine (PubChem CID 104886402) has the molecular formula C8H17F3N4O2 and a molecular weight of 258.24 g/mol. Its IUPAC name is 1-amino-3-(2-methoxyethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine.

Molecular Properties

Compound Name1-amino-3-(2-methoxyethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
PubChem CID104886402
Molecular FormulaC8H17F3N4O2
Molecular Weight258.24 g/mol
Exact Mass258.13
IUPAC Name1-amino-3-(2-methoxyethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
SMILESCOCCN/C(=N\CCOCC(F)(F)F)NN
InChIInChI=1S/C8H17F3N4O2/c1-16-4-2-13-7(15-12)14-3-5-17-6-8(9,10)11/h2-6,12H2,1H3,(H2,13,14,15)
InChIKeyYPWVVGPIUIZDQX-UHFFFAOYSA-N
XLogP-0.38
TPSA80.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-methoxyethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine?
The IUPAC name of 1-amino-3-(2-methoxyethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine (CID 104886402) is 1-amino-3-(2-methoxyethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine.
What is the SMILES notation for 1-amino-3-(2-methoxyethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine?
The canonical SMILES for 1-amino-3-(2-methoxyethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine is COCCN/C(=N\CCOCC(F)(F)F)NN.
What is the InChIKey of 1-amino-3-(2-methoxyethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine?
The InChIKey is YPWVVGPIUIZDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N4O2/c1-16-4-2-13-7(15-12)14-3-5-17-6-8(9,10)11/h2-6,12H2,1H3,(H2,13,14,15).
What are the key properties of 1-amino-3-(2-methoxyethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine?
1-amino-3-(2-methoxyethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine has a molecular weight of 258.24 g/mol, XLogP of -0.38, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-methoxyethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine is sourced from PubChem (CID 104886402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).