10-[3-(2,2,2-trifluoroethoxy)propyl]-6,10-diazaspiro[4.6]undecane

C14H25F3N2O — CID 64869903

IUPAC10-[3-(2,2,2-trifluoroethoxy)propyl]-6,10-diazaspiro[4.6]undecane
SMILESFC(F)(F)COCCCN1CCCNC2(CCCC2)C1
InChIInChI=1S/C14H25F3N2O/c15-14(16,17)12-20-10-4-9-19-8-3-7-18-13(11-19)5-1-2-6-13/h18H,1-12H2
InChIKeyRZRYZWPHDVDARO-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.56
Rot. Bonds5

About 10-[3-(2,2,2-trifluoroethoxy)propyl]-6,10-diazaspiro[4.6]undecane

10-[3-(2,2,2-trifluoroethoxy)propyl]-6,10-diazaspiro[4.6]undecane (PubChem CID 64869903) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is 10-[3-(2,2,2-trifluoroethoxy)propyl]-6,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name10-[3-(2,2,2-trifluoroethoxy)propyl]-6,10-diazaspiro[4.6]undecane
PubChem CID64869903
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC Name10-[3-(2,2,2-trifluoroethoxy)propyl]-6,10-diazaspiro[4.6]undecane
SMILESFC(F)(F)COCCCN1CCCNC2(CCCC2)C1
InChIInChI=1S/C14H25F3N2O/c15-14(16,17)12-20-10-4-9-19-8-3-7-18-13(11-19)5-1-2-6-13/h18H,1-12H2
InChIKeyRZRYZWPHDVDARO-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 10-[3-(2,2,2-trifluoroethoxy)propyl]-6,10-diazaspiro[4.6]undecane 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 10-[3-(2,2,2-trifluoroethoxy)propyl]-6,10-diazaspiro[4.6]undecane?
The IUPAC name of 10-[3-(2,2,2-trifluoroethoxy)propyl]-6,10-diazaspiro[4.6]undecane (CID 64869903) is 10-[3-(2,2,2-trifluoroethoxy)propyl]-6,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 10-[3-(2,2,2-trifluoroethoxy)propyl]-6,10-diazaspiro[4.6]undecane?
The canonical SMILES for 10-[3-(2,2,2-trifluoroethoxy)propyl]-6,10-diazaspiro[4.6]undecane is FC(F)(F)COCCCN1CCCNC2(CCCC2)C1.
What is the InChIKey of 10-[3-(2,2,2-trifluoroethoxy)propyl]-6,10-diazaspiro[4.6]undecane?
The InChIKey is RZRYZWPHDVDARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c15-14(16,17)12-20-10-4-9-19-8-3-7-18-13(11-19)5-1-2-6-13/h18H,1-12H2.
What are the key properties of 10-[3-(2,2,2-trifluoroethoxy)propyl]-6,10-diazaspiro[4.6]undecane?
10-[3-(2,2,2-trifluoroethoxy)propyl]-6,10-diazaspiro[4.6]undecane 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 10-[3-(2,2,2-trifluoroethoxy)propyl]-6,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 64869903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).