6-methyl-2,6-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid

C9H15F3N2O2 — CID 156592397

IUPAC6-methyl-2,6-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid
SMILESCN1CCC2(CNC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H14N2.C2HF3O2/c1-9-3-2-7(6-9)4-8-5-7;3-2(4,5)1(6)7/h8H,2-6H2,1H3;(H,6,7)
InChIKeyMLXZKGRBJXIZFG-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.54
Rot. Bonds

About 6-methyl-2,6-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid

6-methyl-2,6-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid (PubChem CID 156592397) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 6-methyl-2,6-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-methyl-2,6-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid
PubChem CID156592397
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name6-methyl-2,6-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid
SMILESCN1CCC2(CNC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H14N2.C2HF3O2/c1-9-3-2-7(6-9)4-8-5-7;3-2(4,5)1(6)7/h8H,2-6H2,1H3;(H,6,7)
InChIKeyMLXZKGRBJXIZFG-UHFFFAOYSA-N
XLogP0.54
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,6-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-methyl-2,6-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid (CID 156592397) is 6-methyl-2,6-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-methyl-2,6-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-methyl-2,6-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid is CN1CCC2(CNC2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 6-methyl-2,6-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid?
The InChIKey is MLXZKGRBJXIZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.C2HF3O2/c1-9-3-2-7(6-9)4-8-5-7;3-2(4,5)1(6)7/h8H,2-6H2,1H3;(H,6,7).
What are the key properties of 6-methyl-2,6-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid?
6-methyl-2,6-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid has a molecular weight of 240.22 g/mol, XLogP of 0.54, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,6-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 156592397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).