1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3,3,3-trifluoropropan-1-amine

C12H20F3NO2 — CID 79915271

IUPAC1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3,3,3-trifluoropropan-1-amine
SMILESNC(CC(F)(F)F)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C12H20F3NO2/c13-12(14,15)8-10(16)9-1-4-18-11(7-9)2-5-17-6-3-11/h9-10H,1-8,16H2
InChIKeySXOMUZQSZQCOTL-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.24
Rot. Bonds2

About 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3,3,3-trifluoropropan-1-amine

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3,3,3-trifluoropropan-1-amine (PubChem CID 79915271) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3,3,3-trifluoropropan-1-amine
PubChem CID79915271
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3,3,3-trifluoropropan-1-amine
SMILESNC(CC(F)(F)F)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C12H20F3NO2/c13-12(14,15)8-10(16)9-1-4-18-11(7-9)2-5-17-6-3-11/h9-10H,1-8,16H2
InChIKeySXOMUZQSZQCOTL-UHFFFAOYSA-N
XLogP2.24
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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-(1,9-dioxaspiro[5.5]undecan-4-yl)-3,3,3-trifluoropropan-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-(1,9-dioxaspiro[5.5]undecan-4-yl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3,3,3-trifluoropropan-1-amine (CID 79915271) is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3,3,3-trifluoropropan-1-amine is NC(CC(F)(F)F)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is SXOMUZQSZQCOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c13-12(14,15)8-10(16)9-1-4-18-11(7-9)2-5-17-6-3-11/h9-10H,1-8,16H2.
What are the key properties of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3,3,3-trifluoropropan-1-amine?
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 267.29 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 79915271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).