N-(3,3,3-trifluoropropyl)-5-oxaspiro[3.5]nonan-8-amine

C11H18F3NO — CID 79904109

IUPACN-(3,3,3-trifluoropropyl)-5-oxaspiro[3.5]nonan-8-amine
SMILESFC(F)(F)CCNC1CCOC2(CCC2)C1
InChIInChI=1S/C11H18F3NO/c12-11(13,14)5-6-15-9-2-7-16-10(8-9)3-1-4-10/h9,15H,1-8H2
InChIKeyALLGHFYUBFPZIC-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.63
Rot. Bonds3

About N-(3,3,3-trifluoropropyl)-5-oxaspiro[3.5]nonan-8-amine

N-(3,3,3-trifluoropropyl)-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 79904109) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)-5-oxaspiro[3.5]nonan-8-amine
PubChem CID79904109
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC NameN-(3,3,3-trifluoropropyl)-5-oxaspiro[3.5]nonan-8-amine
SMILESFC(F)(F)CCNC1CCOC2(CCC2)C1
InChIInChI=1S/C11H18F3NO/c12-11(13,14)5-6-15-9-2-7-16-10(8-9)3-1-4-10/h9,15H,1-8H2
InChIKeyALLGHFYUBFPZIC-UHFFFAOYSA-N
XLogP2.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3,3,3-trifluoropropyl)-5-oxaspiro[3.5]nonan-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-(3,3,3-trifluoropropyl)-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of N-(3,3,3-trifluoropropyl)-5-oxaspiro[3.5]nonan-8-amine (CID 79904109) is N-(3,3,3-trifluoropropyl)-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-(3,3,3-trifluoropropyl)-5-oxaspiro[3.5]nonan-8-amine is FC(F)(F)CCNC1CCOC2(CCC2)C1.
What is the InChIKey of N-(3,3,3-trifluoropropyl)-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is ALLGHFYUBFPZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c12-11(13,14)5-6-15-9-2-7-16-10(8-9)3-1-4-10/h9,15H,1-8H2.
What are the key properties of N-(3,3,3-trifluoropropyl)-5-oxaspiro[3.5]nonan-8-amine?
N-(3,3,3-trifluoropropyl)-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 237.26 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 79904109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).