8-ethyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane

C14H25F3N2O — CID 64841406

IUPAC8-ethyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane
SMILESCCC1CN(CCOCC(F)(F)F)C2(CCCC2)CN1
InChIInChI=1S/C14H25F3N2O/c1-2-12-9-19(7-8-20-11-14(15,16)17)13(10-18-12)5-3-4-6-13/h12,18H,2-11H2,1H3
InChIKeyXHNAXNIILPUAFQ-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.56
Rot. Bonds5

About 8-ethyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane

8-ethyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane (PubChem CID 64841406) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is 8-ethyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-ethyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane
PubChem CID64841406
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC Name8-ethyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane
SMILESCCC1CN(CCOCC(F)(F)F)C2(CCCC2)CN1
InChIInChI=1S/C14H25F3N2O/c1-2-12-9-19(7-8-20-11-14(15,16)17)13(10-18-12)5-3-4-6-13/h12,18H,2-11H2,1H3
InChIKeyXHNAXNIILPUAFQ-UHFFFAOYSA-N
XLogP2.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-ethyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane 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 8-ethyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8-ethyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane (CID 64841406) is 8-ethyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-ethyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-ethyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane is CCC1CN(CCOCC(F)(F)F)C2(CCCC2)CN1.
What is the InChIKey of 8-ethyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane?
The InChIKey is XHNAXNIILPUAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c1-2-12-9-19(7-8-20-11-14(15,16)17)13(10-18-12)5-3-4-6-13/h12,18H,2-11H2,1H3.
What are the key properties of 8-ethyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane?
8-ethyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane has a molecular weight of 294.36 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64841406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).