N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine

C12H20F3NO3 — CID 63827310

IUPACN-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESFC(F)(F)COCCNC1CCC2(CC1)OCCO2
InChIInChI=1S/C12H20F3NO3/c13-12(14,15)9-17-6-5-16-10-1-3-11(4-2-10)18-7-8-19-11/h10,16H,1-9H2
InChIKeyZYSRIAIVXJQFRY-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.84
Rot. Bonds5

About N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine

N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 63827310) has the molecular formula C12H20F3NO3 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID63827310
Molecular FormulaC12H20F3NO3
Molecular Weight283.29 g/mol
Exact Mass283.14
IUPAC NameN-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESFC(F)(F)COCCNC1CCC2(CC1)OCCO2
InChIInChI=1S/C12H20F3NO3/c13-12(14,15)9-17-6-5-16-10-1-3-11(4-2-10)18-7-8-19-11/h10,16H,1-9H2
InChIKeyZYSRIAIVXJQFRY-UHFFFAOYSA-N
XLogP1.84
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-dioxaspiro[4.5]decan-8-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 N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine (CID 63827310) is N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine is FC(F)(F)COCCNC1CCC2(CC1)OCCO2.
What is the InChIKey of N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is ZYSRIAIVXJQFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO3/c13-12(14,15)9-17-6-5-16-10-1-3-11(4-2-10)18-7-8-19-11/h10,16H,1-9H2.
What are the key properties of N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 283.29 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 63827310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).