1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-(3,3,3-trifluoropropyl)guanidine

C11H22F3N3O2 — CID 109472873

IUPAC1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-(3,3,3-trifluoropropyl)guanidine
SMILESCCN/C(=N\CCC(F)(F)F)NCCOCCOC
InChIInChI=1S/C11H22F3N3O2/c1-3-15-10(16-5-4-11(12,13)14)17-6-7-19-9-8-18-2/h3-9H2,1-2H3,(H2,15,16,17)
InChIKeyTULOBVOVRILFGJ-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.16
Rot. Bonds9

About 1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-(3,3,3-trifluoropropyl)guanidine

1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-(3,3,3-trifluoropropyl)guanidine (PubChem CID 109472873) has the molecular formula C11H22F3N3O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-(3,3,3-trifluoropropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-(3,3,3-trifluoropropyl)guanidine
PubChem CID109472873
Molecular FormulaC11H22F3N3O2
Molecular Weight285.31 g/mol
Exact Mass285.17
IUPAC Name1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-(3,3,3-trifluoropropyl)guanidine
SMILESCCN/C(=N\CCC(F)(F)F)NCCOCCOC
InChIInChI=1S/C11H22F3N3O2/c1-3-15-10(16-5-4-11(12,13)14)17-6-7-19-9-8-18-2/h3-9H2,1-2H3,(H2,15,16,17)
InChIKeyTULOBVOVRILFGJ-UHFFFAOYSA-N
XLogP1.16
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-(3,3,3-trifluoropropyl)guanidine?
The IUPAC name of 1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-(3,3,3-trifluoropropyl)guanidine (CID 109472873) is 1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-(3,3,3-trifluoropropyl)guanidine.
What is the SMILES notation for 1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-(3,3,3-trifluoropropyl)guanidine?
The canonical SMILES for 1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-(3,3,3-trifluoropropyl)guanidine is CCN/C(=N\CCC(F)(F)F)NCCOCCOC.
What is the InChIKey of 1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-(3,3,3-trifluoropropyl)guanidine?
The InChIKey is TULOBVOVRILFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3O2/c1-3-15-10(16-5-4-11(12,13)14)17-6-7-19-9-8-18-2/h3-9H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-(3,3,3-trifluoropropyl)guanidine?
1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-(3,3,3-trifluoropropyl)guanidine has a molecular weight of 285.31 g/mol, XLogP of 1.16, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-(3,3,3-trifluoropropyl)guanidine is sourced from PubChem (CID 109472873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).