3,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid

C11H19F3N2O2 — CID 69287850

IUPAC3,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
SMILESC1CC2(CCN1)CCNCC2.O=C(O)C(F)(F)F
InChIInChI=1S/C9H18N2.C2HF3O2/c1-5-10-6-2-9(1)3-7-11-8-4-9;3-2(4,5)1(6)7/h10-11H,1-8H2;(H,6,7)
InChIKeyNHNBSJDODHWBOD-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.37
Rot. Bonds

About 3,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid

3,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid (PubChem CID 69287850) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 3,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
PubChem CID69287850
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name3,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
SMILESC1CC2(CCN1)CCNCC2.O=C(O)C(F)(F)F
InChIInChI=1S/C9H18N2.C2HF3O2/c1-5-10-6-2-9(1)3-7-11-8-4-9;3-2(4,5)1(6)7/h10-11H,1-8H2;(H,6,7)
InChIKeyNHNBSJDODHWBOD-UHFFFAOYSA-N
XLogP1.37
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid?
The IUPAC name of 3,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid (CID 69287850) is 3,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid is C1CC2(CCN1)CCNCC2.O=C(O)C(F)(F)F.
What is the InChIKey of 3,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid?
The InChIKey is NHNBSJDODHWBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2.C2HF3O2/c1-5-10-6-2-9(1)3-7-11-8-4-9;3-2(4,5)1(6)7/h10-11H,1-8H2;(H,6,7).
What are the key properties of 3,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid?
3,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid has a molecular weight of 268.28 g/mol, XLogP of 1.37, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69287850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).