1-(2,6-dioxaspiro[4.5]decan-9-yl)-4,4,4-trifluorobutan-1-amine

C12H20F3NO2 — CID 79953297

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)-4,4,4-trifluorobutan-1-amine
SMILESNC(CCC(F)(F)F)C1CCOC2(CCOC2)C1
InChIInChI=1S/C12H20F3NO2/c13-12(14,15)3-1-10(16)9-2-5-18-11(7-9)4-6-17-8-11/h9-10H,1-8,16H2
InChIKeyQPHNAAUBCQWDMK-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.24
Rot. Bonds3

About 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4,4,4-trifluorobutan-1-amine

1-(2,6-dioxaspiro[4.5]decan-9-yl)-4,4,4-trifluorobutan-1-amine (PubChem CID 79953297) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-4,4,4-trifluorobutan-1-amine
PubChem CID79953297
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-4,4,4-trifluorobutan-1-amine
SMILESNC(CCC(F)(F)F)C1CCOC2(CCOC2)C1
InChIInChI=1S/C12H20F3NO2/c13-12(14,15)3-1-10(16)9-2-5-18-11(7-9)4-6-17-8-11/h9-10H,1-8,16H2
InChIKeyQPHNAAUBCQWDMK-UHFFFAOYSA-N
XLogP2.24
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4,4,4-trifluorobutan-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 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4,4,4-trifluorobutan-1-amine (CID 79953297) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4,4,4-trifluorobutan-1-amine is NC(CCC(F)(F)F)C1CCOC2(CCOC2)C1.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4,4,4-trifluorobutan-1-amine?
The InChIKey is QPHNAAUBCQWDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c13-12(14,15)3-1-10(16)9-2-5-18-11(7-9)4-6-17-8-11/h9-10H,1-8,16H2.
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4,4,4-trifluorobutan-1-amine?
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4,4,4-trifluorobutan-1-amine has a molecular weight of 267.29 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 79953297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).