1-cyclopentyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine

C10H18F3N3O — CID 62406048

IUPAC1-cyclopentyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
SMILESN/C(=N\CCOCC(F)(F)F)NC1CCCC1
InChIInChI=1S/C10H18F3N3O/c11-10(12,13)7-17-6-5-15-9(14)16-8-3-1-2-4-8/h8H,1-7H2,(H3,14,15,16)
InChIKeyPSXAMVVGXUWLPG-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.41
Rot. Bonds5

About 1-cyclopentyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine

1-cyclopentyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine (PubChem CID 62406048) has the molecular formula C10H18F3N3O and a molecular weight of 253.27 g/mol. Its IUPAC name is 1-cyclopentyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
PubChem CID62406048
Molecular FormulaC10H18F3N3O
Molecular Weight253.27 g/mol
Exact Mass253.14
IUPAC Name1-cyclopentyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
SMILESN/C(=N\CCOCC(F)(F)F)NC1CCCC1
InChIInChI=1S/C10H18F3N3O/c11-10(12,13)7-17-6-5-15-9(14)16-8-3-1-2-4-8/h8H,1-7H2,(H3,14,15,16)
InChIKeyPSXAMVVGXUWLPG-UHFFFAOYSA-N
XLogP1.41
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

Analyze 1-cyclopentyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine 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 1-cyclopentyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine?
The IUPAC name of 1-cyclopentyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine (CID 62406048) is 1-cyclopentyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine.
What is the SMILES notation for 1-cyclopentyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine?
The canonical SMILES for 1-cyclopentyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine is N/C(=N\CCOCC(F)(F)F)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine?
The InChIKey is PSXAMVVGXUWLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O/c11-10(12,13)7-17-6-5-15-9(14)16-8-3-1-2-4-8/h8H,1-7H2,(H3,14,15,16).
What are the key properties of 1-cyclopentyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine?
1-cyclopentyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine has a molecular weight of 253.27 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine is sourced from PubChem (CID 62406048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).