1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

C12H20F3NO3 — CID 103215919

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESNC(COCC(F)(F)F)C1CCOC2(CCOC2)C1
InChIInChI=1S/C12H20F3NO3/c13-12(14,15)8-18-6-10(16)9-1-3-19-11(5-9)2-4-17-7-11/h9-10H,1-8,16H2
InChIKeyCXTBBAYZAKZOSX-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.48
Rot. Bonds4

About 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103215919) has the molecular formula C12H20F3NO3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103215919
Molecular FormulaC12H20F3NO3
Molecular Weight283.29 g/mol
Exact Mass283.14
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESNC(COCC(F)(F)F)C1CCOC2(CCOC2)C1
InChIInChI=1S/C12H20F3NO3/c13-12(14,15)8-18-6-10(16)9-1-3-19-11(5-9)2-4-17-7-11/h9-10H,1-8,16H2
InChIKeyCXTBBAYZAKZOSX-UHFFFAOYSA-N
XLogP1.48
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(2,2,2-trifluoroethoxy)ethanamine 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-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103215919) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is NC(COCC(F)(F)F)C1CCOC2(CCOC2)C1.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is CXTBBAYZAKZOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO3/c13-12(14,15)8-18-6-10(16)9-1-3-19-11(5-9)2-4-17-7-11/h9-10H,1-8,16H2.
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 283.29 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103215919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).