8-(oxan-4-yl)-5,8-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid

C14H23F3N2O3 — CID 175992245

IUPAC8-(oxan-4-yl)-5,8-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
SMILESC1CC2(C1)CN(C1CCOCC1)CCN2.O=C(O)C(F)(F)F
InChIInChI=1S/C12H22N2O.C2HF3O2/c1-4-12(5-1)10-14(7-6-13-12)11-2-8-15-9-3-11;3-2(4,5)1(6)7/h11,13H,1-10H2;(H,6,7)
InChIKeyWKHFDERQAHZUMP-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.63
Rot. Bonds1

About 8-(oxan-4-yl)-5,8-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid

8-(oxan-4-yl)-5,8-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid (PubChem CID 175992245) has the molecular formula C14H23F3N2O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 8-(oxan-4-yl)-5,8-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name8-(oxan-4-yl)-5,8-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
PubChem CID175992245
Molecular FormulaC14H23F3N2O3
Molecular Weight324.34 g/mol
Exact Mass324.17
IUPAC Name8-(oxan-4-yl)-5,8-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
SMILESC1CC2(C1)CN(C1CCOCC1)CCN2.O=C(O)C(F)(F)F
InChIInChI=1S/C12H22N2O.C2HF3O2/c1-4-12(5-1)10-14(7-6-13-12)11-2-8-15-9-3-11;3-2(4,5)1(6)7/h11,13H,1-10H2;(H,6,7)
InChIKeyWKHFDERQAHZUMP-UHFFFAOYSA-N
XLogP1.63
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-(oxan-4-yl)-5,8-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid 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 8-(oxan-4-yl)-5,8-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid?
The IUPAC name of 8-(oxan-4-yl)-5,8-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid (CID 175992245) is 8-(oxan-4-yl)-5,8-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 8-(oxan-4-yl)-5,8-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid?
The canonical SMILES for 8-(oxan-4-yl)-5,8-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid is C1CC2(C1)CN(C1CCOCC1)CCN2.O=C(O)C(F)(F)F.
What is the InChIKey of 8-(oxan-4-yl)-5,8-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid?
The InChIKey is WKHFDERQAHZUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O.C2HF3O2/c1-4-12(5-1)10-14(7-6-13-12)11-2-8-15-9-3-11;3-2(4,5)1(6)7/h11,13H,1-10H2;(H,6,7).
What are the key properties of 8-(oxan-4-yl)-5,8-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid?
8-(oxan-4-yl)-5,8-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid has a molecular weight of 324.34 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(oxan-4-yl)-5,8-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175992245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).