3-ethoxy-2,2-dimethyl-N-(2,2,2-trifluoroethoxy)cyclobutan-1-amine

C10H18F3NO2 — CID 82710768

IUPAC3-ethoxy-2,2-dimethyl-N-(2,2,2-trifluoroethoxy)cyclobutan-1-amine
SMILESCCOC1CC(NOCC(F)(F)F)C1(C)C
InChIInChI=1S/C10H18F3NO2/c1-4-15-8-5-7(9(8,2)3)14-16-6-10(11,12)13/h7-8,14H,4-6H2,1-3H3
InChIKeyWZNCQDMWSXSWMV-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.27
Rot. Bonds5

About 3-ethoxy-2,2-dimethyl-N-(2,2,2-trifluoroethoxy)cyclobutan-1-amine

3-ethoxy-2,2-dimethyl-N-(2,2,2-trifluoroethoxy)cyclobutan-1-amine (PubChem CID 82710768) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-N-(2,2,2-trifluoroethoxy)cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-N-(2,2,2-trifluoroethoxy)cyclobutan-1-amine
PubChem CID82710768
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name3-ethoxy-2,2-dimethyl-N-(2,2,2-trifluoroethoxy)cyclobutan-1-amine
SMILESCCOC1CC(NOCC(F)(F)F)C1(C)C
InChIInChI=1S/C10H18F3NO2/c1-4-15-8-5-7(9(8,2)3)14-16-6-10(11,12)13/h7-8,14H,4-6H2,1-3H3
InChIKeyWZNCQDMWSXSWMV-UHFFFAOYSA-N
XLogP2.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-ethoxy-2,2-dimethyl-N-(2,2,2-trifluoroethoxy)cyclobutan-1-amine 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 3-ethoxy-2,2-dimethyl-N-(2,2,2-trifluoroethoxy)cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2,2-dimethyl-N-(2,2,2-trifluoroethoxy)cyclobutan-1-amine (CID 82710768) is 3-ethoxy-2,2-dimethyl-N-(2,2,2-trifluoroethoxy)cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-N-(2,2,2-trifluoroethoxy)cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-N-(2,2,2-trifluoroethoxy)cyclobutan-1-amine is CCOC1CC(NOCC(F)(F)F)C1(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-N-(2,2,2-trifluoroethoxy)cyclobutan-1-amine?
The InChIKey is WZNCQDMWSXSWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-4-15-8-5-7(9(8,2)3)14-16-6-10(11,12)13/h7-8,14H,4-6H2,1-3H3.
What are the key properties of 3-ethoxy-2,2-dimethyl-N-(2,2,2-trifluoroethoxy)cyclobutan-1-amine?
3-ethoxy-2,2-dimethyl-N-(2,2,2-trifluoroethoxy)cyclobutan-1-amine has a molecular weight of 241.25 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-dimethyl-N-(2,2,2-trifluoroethoxy)cyclobutan-1-amine is sourced from PubChem (CID 82710768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).